SCHEMBL645571

SCHEMBL645571

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 6/20 0.46
AVPR1A P37288 6/20 0.38
MAPT P10636 1/20 0.36
F2 P00734 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
MEN1 O00255 1/20 0.34
EPHX1 P07099 1/20 0.34
KMT2A Q03164 1/20 0.34
BMP1 P13497 1/20 0.34
CCR5 P51681 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
SCHEMBL642950 0.90 AVPR1B (0.45) AVPR1BAVPR1AF2MEN1KMT2A
SCHEMBL643968 0.88 AVPR1B (0.43) AVPR1BAVPR1AMAPTCCR5
SCHEMBL643095 0.86 AVPR1B (0.48) AVPR1BAVPR1AMEN1KMT2A
SCHEMBL2492035 0.85 AVPR1B (0.46) AVPR1BAVPR1AMEN1KMT2A
SCHEMBL492675 0.85 BDKRB1 (0.41) AVPR1BAVPR1AMAPT
SCHEMBL645572 0.82 AVPR1B (0.45) AVPR1BAVPR1AMAPTMEN1EPHX1
SCHEMBL643969 0.79 AVPR1B (0.41) AVPR1BAVPR1A
SCHEMBL493144 0.79 BDKRB1 (0.40) AVPR1BAVPR1A
SCHEMBL494004 0.77 BDKRB1 (0.40) MAPT
SCHEMBL492971 0.77 AVPR1A (0.41) AVPR1BAVPR1AMAPTF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 1096/4885MAPT 2595/4885

“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.