SCHEMBL644809

SCHEMBL644809

CN(C)C(c1cccs1)C1CCC(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.39
HCRTR1 O43613 1/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM1 P11229 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
CXCR3 P49682 1/20 0.36
GRM4 Q14833 1/20 0.36
RAB9A P51151 1/20 0.36

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 0.88 KMT2A (0.42) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL643063 0.87 CXCR3 (0.42) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL644580 0.85 KMT2A (0.42) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL644808 0.85 LMNA (0.39) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL642945 0.81 CXCR3 (0.43) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL2489162 0.80 KMT2A (0.41) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL2489904 0.80 KMT2A (0.45) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL642958 0.79 KMT2A (0.43) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL493145 0.78 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL644868 0.78 KMT2A (0.44) KMT2AALDH1A1LMNAHTTSMN1; 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 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 KMT2A 2577/4885MEN1 4243/4885ALDH1A1 511/4885

“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.