SCHEMBL643968

SCHEMBL643968

COc1cc(C)c(S(=O)(=O)N(C)CCCNC(=O)NC2CCC(C(c3ccccc3)N3CCCC3)CC2)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 8/20 0.43
AVPR1A P37288 9/20 0.39
CCR5 P51681 1/20 0.35
BDKRB1 P46663 1/20 0.35
HTR6 P50406 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL645571 0.88 AVPR1B (0.46) AVPR1BAVPR1ACCR5MAPT
SCHEMBL493310 0.86 BDKRB1 (0.42) AVPR1BAVPR1ABDKRB1MAPT
SCHEMBL493412 0.85 BDKRB1 (0.42) AVPR1ABDKRB1MAPT
SCHEMBL643969 0.80 AVPR1B (0.41) AVPR1BAVPR1ABDKRB1HTR6
SCHEMBL493686 0.80 BDKRB1 (0.41) AVPR1BAVPR1ABDKRB1MAPT
SCHEMBL645572 0.79 AVPR1B (0.45) AVPR1BAVPR1ABDKRB1MAPT
SCHEMBL642950 0.78 AVPR1B (0.45) AVPR1BAVPR1A
SCHEMBL643095 0.77 AVPR1B (0.48) AVPR1BAVPR1ABDKRB1HTR6
SCHEMBL2492035 0.76 AVPR1B (0.46) AVPR1BAVPR1ABDKRB1HTR6
SCHEMBL493313 0.76 BDKRB1 (0.53) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE 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 (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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A AVPR1B 878/4885AVPR1A 1096/4885CCR5 2926/4885

“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.