SCHEMBL4686647

SCHEMBL4686647

CCCCc1ccc(S(=O)(=O)OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR2 P34972 1/20 0.46
AKT1 P31749 1/20 0.44

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
SCHEMBL4248939 0.93 CA2 (0.62) CA2SMN1; SMN2CA12CA1CA9
SCHEMBL18531403 0.93 CA2 (0.62) CA2SMN1; SMN2CA12CA1CA9
SCHEMBL27828515 0.93 CA2 (0.62) CA2SMN1; SMN2CA12CA1CA9
SCHEMBL29184955 0.91 CA2 (0.60) CA2SMN1; SMN2CA12CA1CA9
SCHEMBL4686641 0.84 CA2 (0.61) CA2SMN1; SMN2FFAR1FFAR4CA12
SCHEMBL11888421 0.84 CA2 (0.61) CA2SMN1; SMN2FFAR1FFAR4CA12
SCHEMBL4684653 0.82 CA2 (0.59) CA2SMN1; SMN2FFAR1FFAR4CA12
SCHEMBL27572259 0.82 CA2 (0.59) CA2SMN1; SMN2FFAR1FFAR4CA12
SCHEMBL11887254 0.81 CA2 (0.57) CA2SMN1; SMN2FFAR1FFAR4CA12
SCHEMBL4684658 0.81 CA2 (0.57) CA2SMN1; SMN2FFAR1FFAR4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910181-A Process for producing thiophene derivative JAPAN CARLIT CO LTD 2010-12-08 CN disclosed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed