SCHEMBL702385

SCHEMBL702385

CC(C)(C)OC(=O)N1CCC(CCCOS(C)(=O)=O)(c2cccc(Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.51
STS P08842 1/20 0.45
TACR1 P25103 1/20 0.43
GPR119 Q8TDV5 8/20 0.41
ATM Q13315 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL701482 0.89 TACR1 (0.45) CCR5TACR1GPR119
SCHEMBL702460 0.87 TACR1 (0.52) CCR5STSTACR1GPR119
SCHEMBL702500 0.86 CCR5 (0.55) CCR5STSTACR1ATMOPRD1
SCHEMBL703519 0.83 CCR5 (0.46) CCR5TACR1GPR119OPRD1OPRK1
SCHEMBL701427 0.83 CCR5 (0.55) CCR5STSTACR1
SCHEMBL16553847 0.82 MEN1 (0.48) CCR5STSTACR1GPR119
SCHEMBL17886652 0.82 TACR1 (0.53) CCR5STSTACR1GPR119ATM
SCHEMBL700173 0.82 CCR5 (0.54) CCR5STSTACR1ATMOPRD1
SCHEMBL4414050 0.80 CCR5 (0.53) CCR5STSTACR1ATMOPRD1
SCHEMBL3525135 0.79 CCR5 (0.54) CCR5STSTACR1ATMOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 CCR5 1218/4885STS 145/4885TACR1 18/4885

“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.