SCHEMBL3816477

SCHEMBL3816477

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)N3CCC(O)(Cc4ccccc4)CC3)C2)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 3/20 0.39
GRIN2B Q13224 2/20 0.39
EPHX2 P34913 1/20 0.39
POLB P06746 3/20 0.38
HTR6 P50406 1/20 0.37
CYP46A1 Q9Y6A2 2/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
AVPR1A P37288 3/20 0.37
PKLR P30613 1/20 0.36

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
SCHEMBL3817162 0.95 EPHX2 (0.41) AVPR1BGRIN2BEPHX2HTR6CYP46A1
SCHEMBL3808499 0.91 EPHX2 (0.44) AVPR1BGRIN2BEPHX2HTR6CYP46A1
SCHEMBL5131915 0.86 GRIN2B (0.42) GRIN2BEPHX2CYP46A1AVPR1APKLR
SCHEMBL5128724 0.84 HTR6 (0.38) EPHX2HTR6KMT2A
SCHEMBL5128250 0.83 AVPR1A (0.45) KMT2AAVPR1APKLR
SCHEMBL5126115 0.83 EPHX2 (0.43) GRIN2BEPHX2CYP46A1PKLR
SCHEMBL3810909 0.82 EPHX2 (0.44) AVPR1BEPHX2CYP46A1KMT2AAVPR1A
SCHEMBL5132127 0.81 EPHX2 (0.46) EPHX2POLBHTR6KMT2A
SCHEMBL3808475 0.80 AVPR1B (0.44) AVPR1BEPHX2AVPR1A
SCHEMBL5131522 0.79 BDKRB1 (0.43) GRIN2BPOLBCYP46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US claimed
EP-2086935-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2009-08-12 EP claimed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 WO claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
EP-2086935-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2009-08-12 EP disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 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 (1 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 AVPR1B 14/4885GRIN2B 282/4885EPHX2 1287/4885

“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.