SCHEMBL700357

SCHEMBL700357

CCOC(=O)CCC1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.55
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
TACR1 P25103 1/20 0.44
STS P08842 1/20 0.42
APP P05067 1/20 0.42
MCHR1 Q99705 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP3A4 P08684 1/20 0.40
GRM5 P41594 1/20 0.40
ANO1 Q5XXA6 1/20 0.40

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
SCHEMBL703588 0.88 TACR1 (0.46) CCR5TACR1MCHR1ATMOPRD1
SCHEMBL11919549 0.88 TACR1 (0.53) CCR5TACR1APPATMOPRD1
SCHEMBL700207 0.87 TACR1 (0.54) CCR5TACR1ATMGRM5
SCHEMBL14272924 0.86 CCR5 (0.47) CCR5TACR1L3MBTL1
SCHEMBL702500 0.84 CCR5 (0.55) CCR5TP53POLBTACR1STS
SCHEMBL700173 0.83 CCR5 (0.54) CCR5TP53POLBTACR1STS
SCHEMBL702191 0.82 NAMPT (0.46) CCR5TACR1OPRD1OPRK1
SCHEMBL10282909 0.82 CCR5 (0.44) CCR5TACR1OPRD1OPRK1
SCHEMBL704139 0.82 OPRM1 (0.50) CCR5TP53POLBATML3MBTL1
SCHEMBL4414050 0.81 CCR5 (0.53) CCR5TP53POLBTACR1STS

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-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
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
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 1218/4885TP53 4629/4885POLB 3342/4885

“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.