SCHEMBL4773131

SCHEMBL4773131

CCC(C(=O)O)c1ccccc1N(C)S(=O)(=O)c1cc(C)c(Cl)cc1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.39
▸ S1PR4 O95977 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KCNJ6 P48051 2/20 0.36
▸ KCNJ5 P48544 2/20 0.36
▸ KCNJ3 P48549 2/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL4764323 0.76 CA12 (0.40) HSD17B1HSD17B2ALDH1A1LMNAKCNJ6
SCHEMBL4764658 0.75 MCOLN3 (0.53) ALDH1A1LMNAMCOLN3KDM4E
SCHEMBL2158554 0.70 — —
SCHEMBL3663594 0.70 LMNA (0.37) ALDH1A1LMNATSHR
SCHEMBL3814650 0.69 ACLY (0.39) S1PR1HSD17B1HSD17B2LMNA
SCHEMBL13270767 0.68 LMNA (0.39) S1PR1HSD17B1HSD17B2MAPTLMNA
SCHEMBL1489632 0.68 KCNQ2 (0.50) ALDH1A1LMNA
SCHEMBL30821928 0.68 KCNQ2 (0.50) ALDH1A1LMNA
SCHEMBL1928791 0.67 ACP3 (0.43) ALDH1A1LMNATSHR
SCHEMBL10411263 0.66 EGFR (0.40) MAPTALDH1A1LMNATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 — — EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 — — EP disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 — — WO disclosed
Send feedback