SCHEMBL9903617

SCHEMBL9903617

CC1(C)OC[C@@H](CC2(S(=O)(=O)O)CC2)O1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
ALDH1A1 P00352 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9903821 1.00 CA2 (0.47) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL9903413 1.00 CA2 (0.47) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL14127503 0.98 CA2 (0.46) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL14127353 0.98 CA2 (0.46) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL15754759 0.98 CA2 (0.46) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL14127323 0.98 CA2 (0.46) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL935436 0.98 CA2 (0.46) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL10314679 0.85 CA2 (0.49) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL10314678 0.85 CA2 (0.49) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL14127196 0.83 CA2 (0.47) CA2ALDH1A1TMEM97SIGMAR1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714652-B1 CHIRAL SYNTHESIS OF N-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]-6-METHOXYPHENYL}-1-[2,3-DIHYDROXY-PROPYL]CYCLOPROPANESULFONAMIDES BAYER IP GMBH (DE) 2018-07-18 EP claimed
US-9328066-B2 Chiral synthesis of N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[2,3-dihydroxy-propyl]cyclopropanesulfonamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-03 US disclosed
US-9328066-B2 Chiral synthesis of N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[2,3-dihydroxy-propyl]cyclopropanesulfonamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-03 US disclosed
EP-2462111-B1 PREPARATION OF (R)- AND (S)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND PROTECTED DERIVATIVES THEREOF ARDEA BIOSCIENCES INC (US) 2016-03-30 EP disclosed
EP-2462111-B1 PREPARATION OF (R)- AND (S)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND PROTECTED DERIVATIVES THEREOF ARDEA BIOSCIENCES INC (US) 2016-03-30 EP disclosed
US-9296686-B2 Preparation of (R)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide and (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide ARDEA BIOSCIENCES, INC. (US) 2016-03-29 US disclosed
US-9296686-B2 Preparation of (R)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide and (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide ARDEA BIOSCIENCES, INC. (US) 2016-03-29 US disclosed
US-9296686-B2 Preparation of (R)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide and (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide ARDEA BIOSCIENCES, INC. (US) 2016-03-29 US disclosed
US-20150274651-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE ARDEA BIOSCIENCES, INC. (US) 2015-10-01 US disclosed
US-20150274651-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE ARDEA BIOSCIENCES, INC. (US) 2015-10-01 US disclosed
US-20140155637-A1 CHIRAL SYNTHESIS OF N--1-[2,3-DIHYDROXY-PROPYL]CYCLOPROPANESULFONAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-05 US disclosed
US-20130261320-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE ARDEA BIOSCIENCES, INC. (US) 2013-10-03 US disclosed
US-20130261320-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE ARDEA BIOSCIENCES, INC. (US) 2013-10-03 US disclosed
US-20130261320-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE ARDEA BIOSCIENCES, INC. (US) 2013-10-03 US disclosed
US-8513443-B2 Preparation of (R)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide and (S)-N-3,4-difluoro-2(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide ARDEA BIOSCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513443-B2 Preparation of (R)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide and (S)-N-3,4-difluoro-2(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide ARDEA BIOSCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513443-B2 Preparation of (R)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide and (S)-N-3,4-difluoro-2(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide ARDEA BIOSCIENCES, INC. (US) 2013-08-20 US disclosed
US-20120178946-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMIN0)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMIN0)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE ARDEA BIOSCIENCES ,INC. (US) 2012-07-12 US disclosed
US-20120178946-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMIN0)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMIN0)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE ARDEA BIOSCIENCES ,INC. (US) 2012-07-12 US disclosed
EP-2462111-A1 PREPARATION OF (R)- AND (S)-N-(3, 4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)--6-METHOXYPHENYL) -1- (2, 3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND PROTECTED DERIVATIVES THEREOF Ardea Biosciences, Inc. (US) 2012-06-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150274651-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE DHPS, S1PR2, SULT2A1 CA2 1574/4885ALDH1A1 447/4885TMEM97 486/4885
US-20140155637-A1 CHIRAL SYNTHESIS OF N--1-[2,3-DIHYDROXY-PROPYL]CYCLOPROPANESULFONAMIDES DHPS, FDPS, PAPSS1 CA2 3011/4885ALDH1A1 388/4885TMEM97 3630/4885
US-20130261320-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE DHPS, SULT2A1, S1PR2 CA2 1579/4885ALDH1A1 478/4885TMEM97 537/4885
US-20120178946-A1 PREPARATION OF (R)-N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMIN0)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE AND (S)- N-(3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMIN0)-6-METHOXYPHENYL)-1-(2,3-DIHYDROXYPROPYL)CYCLOPROPANE-1-SULFONAMIDE DHPS, SPNS2, SULT2A1 CA2 1690/4885ALDH1A1 462/4885TMEM97 783/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.