SCHEMBL642945

SCHEMBL642945

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
CHRM1 P11229 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL643252 0.86 KMT2A (0.42) LMNAKMT2AMEN1HTTCHRM1
SCHEMBL642944 0.84 CXCR3 (0.42) CXCR3KMT2AMEN1DRD2DRD4
SCHEMBL643063 0.83 CXCR3 (0.42) CXCR3LMNAKMT2AMEN1HTT
SCHEMBL2489904 0.82 KMT2A (0.45) CXCR3LMNAKMT2AMEN1HTT
SCHEMBL643087 0.82 LMNA (0.37) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL644580 0.82 KMT2A (0.42) LMNAKMT2AMEN1HTTCHRM1
SCHEMBL644809 0.81 KMT2A (0.40) CXCR3LMNAKMT2AMEN1HTT
SCHEMBL492864 0.77 KMT2A (0.37) CXCR3LMNAKMT2AMEN1HTT
SCHEMBL2489162 0.77 KMT2A (0.41) CXCR3LMNAKMT2AMEN1HTT
SCHEMBL642958 0.76 KMT2A (0.43) LMNAKMT2AMEN1HTTCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CXCR3 3591/4885LMNA 2721/4885KMT2A 2577/4885

“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.