SCHEMBL3817162

SCHEMBL3817162

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)N3CCC(O)(Cc4ccccc4)CC3)C2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
GRIN2B Q13224 4/20 0.40
AVPR1B P47901 4/20 0.39
HTR6 P50406 1/20 0.38
CYP46A1 Q9Y6A2 4/20 0.38
AVPR1A P37288 2/20 0.37
PKLR P30613 1/20 0.37
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 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
SCHEMBL3816477 0.95 AVPR1B (0.39) EPHX2GRIN2BAVPR1BHTR6CYP46A1
SCHEMBL3808499 0.95 EPHX2 (0.44) EPHX2GRIN2BAVPR1BHTR6CYP46A1
SCHEMBL5131915 0.91 GRIN2B (0.42) EPHX2GRIN2BCYP46A1AVPR1APKLR
SCHEMBL3810909 0.85 EPHX2 (0.44) EPHX2AVPR1BCYP46A1AVPR1A
SCHEMBL3824604 0.83 CYP46A1 (0.41) EPHX2GRIN2BCYP46A1AVPR1A
SCHEMBL5131355 0.82 AVPR1A (0.46) CYP46A1AVPR1APKLR
SCHEMBL3828071 0.82 EPHX2 (0.44) EPHX2GRIN2BCYP46A1PKLRFPR2
SCHEMBL5128879 0.82 GAA (0.49) GRIN2BCYP46A1AVPR1A
SCHEMBL3808475 0.81 AVPR1B (0.44) EPHX2AVPR1BAVPR1AFPR2PROKR1
SCHEMBL5125598 0.80 EPHX2 (0.49) EPHX2AVPR1BHTR6AVPR1AFPR2

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 EPHX2 1287/4885GRIN2B 282/4885AVPR1B 14/4885

“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.