SCHEMBL3349256

SCHEMBL3349256

CCC(C(=O)O)c1ccsc1S

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.36
AKR1C2 P52895 6/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS1 P23219 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.33
FFAR2 O15552 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.32
BCHE P06276 1/20 0.31

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
SCHEMBL8555690 1.00 AKR1C3 (0.36) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL10580121 0.73 LMNA (0.41) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL1667466 0.69 AKR1C3 (0.36) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL2071309 0.68 CYP2C19 (0.46) ALDH1A1L3MBTL1POLBCYP2C19LMNA
SCHEMBL7650701 0.68 CYP2C19 (0.41) POLBFFAR2CYP2C19
SCHEMBL4479342 0.67 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL6179952 0.67 ALDH1A1 (0.44) ALDH1A1FFAR2CYP2C19LMNA
SCHEMBL5696122 0.67 LMNA (0.39) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL24743434 0.66
SCHEMBL1574429 0.66 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010061398-A1 PROCESS FOR PREPARING DORZOLAMIDE HYDROCHLORIDE AND ITS INTERMEDIATE SUVEN LIFE SCIENCES LIMITED (IN) 2010-06-03 WO claimed
WO-2010061398-A1 PROCESS FOR PREPARING DORZOLAMIDE HYDROCHLORIDE AND ITS INTERMEDIATE SUVEN LIFE SCIENCES LIMITED (IN) 2010-06-03 WO disclosed
EP-1918293-A1 Process for the preparation of 6-substituted-4-oxo-thieno [2,3b]thiopyran-2-sulfonic acid Sandoz AG (CH) 2008-05-07 EP disclosed
EP-0296879-B1 SUBSTITUTED AROMATIC SULFONAMIDES AS ANTIGLAUCOMA AGENTS MERCK & CO. INC. (US) 1993-03-17 EP disclosed
US-4863922-A Substituted aromatic sulfonamides as antiglaucoma agents, compositions and use MERCK & CO., INC. (US) 1989-09-05 US disclosed
EP-0296879-A1 Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1988-12-28 EP disclosed