SCHEMBL10314749

SCHEMBL10314749

COc1cc(F)c(F)c2c1n(S(=O)(=O)C1CC1)c(=O)n2-c1ccc(C)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 3/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 2/20 0.34
MEN1 O00255 1/20 0.34
MCOLN3 Q8TDD5 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR5 P51681 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
CCR1 P32246 1/20 0.31
CCR2 P41597 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.31
CASP1 P29466 1/20 0.31
TNF P01375 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL387037 0.89 MAP2K1 (0.34)
SCHEMBL392974 0.75
SCHEMBL19050666 0.70 KDM4E (0.38) TSHRMAPK1GAAKMT2AUSP2
SCHEMBL4146815 0.69 LMNA (0.34) MAPK1GAAKMT2AMEN1L3MBTL1
SCHEMBL14619722 0.65 MAP2K1 (0.48) KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL19050658 0.62 CHEK1 (0.46) KMT2AMEN1L3MBTL1SMN1; SMN2TP53
SCHEMBL19050790 0.60 MAPK13 (0.39) TSHRGAAKMT2AMEN1CCR1
SCHEMBL24681917 0.59 MAPT (0.43) TSHRMAPK1GAAMCOLN3SMN1; SMN2
SCHEMBL486528 0.59 MAP2K1 (0.32) TSHRKMT2AMEN1HPGDTP53
SCHEMBL1982252 0.59 MAP2K1 (0.37) GAASMN1; SMN2HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884058-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 (US) 2014-11-11 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-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

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

For each of this compound's patents that has machine-readable text (2 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-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 TSHR 1516/4885MAPK1 3129/4885GAA 4459/4885
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 TSHR 1769/4885MAPK1 3695/4885GAA 4645/4885

“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.