SCHEMBL2912709

SCHEMBL2912709

COC(=O)c1cc(S(C)(=O)=O)c(N)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
SLC9A1 P19634 1/20 0.45
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.43
CFTR P13569 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
ABL1 P00519 1/20 0.41
VCAM1 P19320 1/20 0.41

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
SCHEMBL6749760 0.86 SLC9A1 (0.54) KDM4EALDH1A1HSD17B10MAPTSLC9A1
SCHEMBL8580625 0.85 SLC9A1 (0.45) KDM4EALDH1A1HSD17B10MAPTSLC9A1
SCHEMBL6922321 0.81 SLC9A1 (0.49) KDM4EALDH1A1SLC9A1CYP1A2
SCHEMBL1720999 0.81 KDM4E (0.56) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL1763859 0.81 SLC9A1 (0.42) KDM4EHSD17B10MAPTSLC9A1CA1
SCHEMBL8045262 0.81 SLC9A1 (0.42) KDM4EALDH1A1HSD17B10MAPTSLC9A1
SCHEMBL6922302 0.81 MAPT (0.45) KDM4EHSD17B10MAPTSLC9A1VCAM1
SCHEMBL2968143 0.81 SLC9A1 (0.42) KDM4EHSD17B10MAPTSLC9A1CA1
SCHEMBL8579254 0.79 SLC9A1 (0.59) KDM4EHSD17B10SLC9A1VCAM1SMN1; SMN2
SCHEMBL8583500 0.79 SLC9A1 (0.41) KDM4EHSD17B10MAPTSLC9A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325920-B1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD (JP) 2010-08-25 EP disclosed
US-7399781-B2 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. (JP) 2008-07-15 US disclosed
US-7071220-B2 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. (JP) 2006-07-04 US disclosed
US-20060116408-A1 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. (JP) 2006-06-01 US disclosed
US-20030229126-A1 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. 2003-12-11 US disclosed
EP-1325920-A1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD. (JP) 2003-07-09 EP disclosed
US-6573404-B2 Intermediates in industrial organic synthesis, e.g. in the preparation of fine chemicals, dyes and crop-protection compositions MERCK PATENT GMBH (DE) 2003-06-03 US disclosed
US-20030069444-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES MERCK KGAA (DE) 2003-04-10 US disclosed
US-6515143-B2 2-bromo-5-chlorotoluene is reacted with a secondary or tertiary organolithium compound, and carbon dioxide to give 4-chloro-2-methylbenzoic acid MERCK KGAA (DE) 2003-02-04 US disclosed
US-20020091286-A1 Method for producing ortho-alkylated benzoic acid derivatives MERCK GMBH (DE) 2002-07-11 US disclosed
US-6350904-B1 CATALYTIC CARBOXYLATION OF HALOALKYLBENZENE MERCK KGAA (DE) 2002-02-26 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 (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-20020091286-A1 Method for producing ortho-alkylated benzoic acid derivatives AOC2, OXER1, GABBR2 KDM4E 1992/4885ALDH1A1 870/4885HSD17B10 438/4885
US-20060116408-A1 N-substituted benzothiophenesulfonamide derivatives ECE1, ECE2, CMA1 KDM4E 769/4885ALDH1A1 1585/4885HSD17B10 3139/4885
US-20030069444-A1 METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES AOC2, OXER1, GABBR2 KDM4E 1992/4885ALDH1A1 870/4885HSD17B10 438/4885
US-20030229126-A1 N-substituted benzothiophenesulfonamide derivatives ECE1, ECE2, CMA1 KDM4E 769/4885ALDH1A1 1585/4885HSD17B10 3139/4885

“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.