SCHEMBL644589

SCHEMBL644589

CN(CCCCCC(=O)O)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
FABP4 P15090 3/20 0.44
VCAM1 P19320 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL642948 0.99 GAA (0.48) GAAFABP4VCAM1ALDH1A1L3MBTL1
SCHEMBL5124229 0.84 GAA (0.48) GAAVCAM1ALDH1A1L3MBTL1
SCHEMBL645268 0.84 MAPT (0.45) VCAM1L3MBTL1KDM4E
SCHEMBL492882 0.77 ALDH1A1 (0.40) GAAFABP4ALDH1A1L3MBTL1KDM4E
SCHEMBL493566 0.77 BDKRB1 (0.42) ALDH1A1L3MBTL1KDM4E
SCHEMBL14034060 0.77 ALDH1A1 (0.56) GAAALDH1A1L3MBTL1
SCHEMBL5117215 0.75 HTT (0.56) GAAFABP4ALDH1A1L3MBTL1KDM4E
SCHEMBL600069 0.74 GAA (0.58) GAAALDH1A1
SCHEMBL4032633 0.74 HTT (0.48) GAAALDH1A1L3MBTL1KDM4E
SCHEMBL5115197 0.73 MCOLN3 (0.51) GAAFABP4VCAM1ALDH1A1L3MBTL1

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
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US 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
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 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 (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 GAA 260/4885FABP4 1511/4885VCAM1 3587/4885

“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.