SCHEMBL2570967

SCHEMBL2570967

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NC(CN2CCN(C)CC2)c2ccccc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.42
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
BDKRB1 P46663 2/20 0.39
RAB9A P51151 3/20 0.38
GPR88 Q9GZN0 2/20 0.38
NPC1 O15118 1/20 0.38
UGCG Q16739 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
AURKA O14965 1/20 0.35
HTR6 P50406 1/20 0.35
FKBP1A P62942 1/20 0.35

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
SCHEMBL2567625 0.95 CCR5 (0.42) CCR5ROCK2ROCK1RAB9AGPR88
SCHEMBL2563624 0.94 RAB9A (0.41) CCR5ROCK2ROCK1RAB9AGPR88
SCHEMBL2563596 0.90 ROCK2 (0.41) CCR5ROCK2ROCK1RAB9AGPR88
SCHEMBL2567782 0.87 CCR5 (0.40) CCR5BDKRB1RAB9ANPC1FKBP1A
SCHEMBL2564590 0.83 OPRK1 (0.48) BDKRB1OPRM1OPRD1OPRK1
SCHEMBL2570812 0.83 BDKRB1 (0.43) BDKRB1RAB9ANPC1LMNA
SCHEMBL492720 0.82 CACNA2D1 (0.36) CCR5BDKRB1RAB9ANPC1ALDH1A1
SCHEMBL14411636 0.82 RAB9A (0.42) CCR5RAB9ANPC1FKBP1A
SCHEMBL2568325 0.80 BDKRB1 (0.40) BDKRB1ALDH1A1
SCHEMBL2566106 0.80 MEN1 (0.52) ALDH1A1LMNASMN1; SMN2

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
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US 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 (3 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CCR5 3939/4885ROCK2 4826/4885ROCK1 4867/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CCR5 3939/4885ROCK2 4826/4885ROCK1 4867/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CCR5 3939/4885ROCK2 4826/4885ROCK1 4867/4885

“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.