SCHEMBL3764045

SCHEMBL3764045

COc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2COCC(N)=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
FKBP1A P62942 2/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
PAX8 Q06710 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL3764050 1.00 BDKRB1 (0.41) BDKRB1RAB9ANPC1FKBP1ACASP3
SCHEMBL700919 0.92 BDKRB1 (0.41) BDKRB1RAB9ANPC1FKBP1ACASP3
SCHEMBL700918 0.92 BDKRB1 (0.41) BDKRB1RAB9ANPC1FKBP1ACASP3
SCHEMBL2567152 0.91 BDKRB1 (0.40) BDKRB1RAB9ANPC1FKBP1ACASP3
SCHEMBL4128949 0.89 RAB9A (0.40) BDKRB1RAB9ANPC1FKBP1APAX8
SCHEMBL3441446 0.88 RAB9A (0.43) BDKRB1RAB9ANPC1CASP3CASP7
SCHEMBL2560595 0.88 RAB9A (0.43) BDKRB1RAB9ANPC1CASP3CASP7
SCHEMBL702106 0.87 CASP3 (0.41) BDKRB1RAB9ANPC1FKBP1ACASP3
SCHEMBL702105 0.87 CASP3 (0.41) BDKRB1RAB9ANPC1FKBP1ACASP3
SCHEMBL13587278 0.87 CASP3 (0.41) BDKRB1FKBP1ACASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US 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 BDKRB1 2368/4885RAB9A 2794/4885NPC1 2707/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885RAB9A 2794/4885NPC1 2707/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885RAB9A 2794/4885NPC1 2707/4885

“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.