SCHEMBL3810909

SCHEMBL3810909

COc1cc(C)c(S(=O)(=O)N2CCC(CCOCC(=O)N3CCC(O)(Cc4ccccc4)CC3)CC2)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
BDKRB1 P46663 6/20 0.44
AVPR1B P47901 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
AVPR1A P37288 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL3808475 0.88 AVPR1B (0.44) EPHX2BDKRB1AVPR1BALDH1A1AVPR1A
SCHEMBL3808499 0.88 EPHX2 (0.44) EPHX2AVPR1BALDH1A1MEN1KMT2A
SCHEMBL3817162 0.85 EPHX2 (0.41) EPHX2AVPR1BCYP46A1AVPR1A
SCHEMBL5131301 0.84 EPHX2 (0.42) EPHX2BDKRB1
SCHEMBL5127801 0.83 BDKRB1 (0.44) BDKRB1AVPR1BALDH1A1
SCHEMBL3816477 0.82 AVPR1B (0.39) EPHX2AVPR1BKMT2ACYP46A1AVPR1A
SCHEMBL3818355 0.81 ALDH1A1 (0.44) BDKRB1ALDH1A1AVPR1A
SCHEMBL3810927 0.81 BDKRB1 (0.43) BDKRB1AVPR1BALDH1A1AVPR1A
SCHEMBL5131959 0.81 EPHX2 (0.53) EPHX2BDKRB1MEN1KMT2A
SCHEMBL5129983 0.79 AVPR1B (0.38) AVPR1BCYP46A1AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1287/4885BDKRB1 1/4885AVPR1B 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.