SCHEMBL492918

SCHEMBL492918

COc1cc(C)c(S(=O)(=O)CNCCOCC(=O)O)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
AVPR1B P47901 6/20 0.38
AVPR1A P37288 3/20 0.38
NMT1 P30419 2/20 0.37
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL4084739 0.91 F2 (0.34) F2AVPR1BAVPR1ANMT1TSHR
SCHEMBL571406 0.84 BDKRB1 (0.37) TSHR
SCHEMBL15347788 0.83 BDKRB1 (0.37) TSHR
SCHEMBL4461535 0.83 FABP4 (0.43) F2EPHX2MEN1KMT2A
SCHEMBL5087475 0.80 F2 (0.40) F2AVPR1BAVPR1ANMT1EPHX2
SCHEMBL4475594 0.78 KDM4E (0.40) TSHRPTGDR2MEN1KMT2A
SCHEMBL5130040 0.78 MEN1 (0.39) TSHREPHX2PTGDR2MEN1KMT2A
SCHEMBL5087478 0.77 NMT1 (0.41) F2AVPR1BAVPR1ANMT1EPHX2
SCHEMBL4484350 0.76 TDP1 (0.36) TSHR
SCHEMBL493488 0.76 NPSR1 (0.46) TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2254867-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-01 EP disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 WO disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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 (5 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 F2 2411/4885AVPR1B 19/4885AVPR1A 22/4885
US-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 F2 188/4885AVPR1B 64/4885AVPR1A 63/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD F2 105/4885AVPR1B 780/4885AVPR1A 537/4885
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 F2 468/4885AVPR1B 64/4885AVPR1A 72/4885
US-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 F2 476/4885AVPR1B 55/4885AVPR1A 56/4885

“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.