SCHEMBL4328403

SCHEMBL4328403

C[C@H](CC(=O)O)Sc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.40
FBP1 P09467 1/20 0.39
FFAR1 O14842 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 2/20 0.38
PTGER1 P34995 1/20 0.36
PTGFR P43088 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
DAO P14920 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
CPA1 P15085 1/20 0.35
MMP1 P03956 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
SCHEMBL4323474 1.00 HPGD (0.44) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4323776 1.00 HPGD (0.44) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4323703 1.00 HPGD (0.44) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9846515 0.87 HPGD (0.37) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10465894 0.87 HPGD (0.37) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9522886 0.84 PTGER1 (0.42) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8791943 0.83 HPGD (0.42) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28814775 0.83 RAB9A (0.41) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7760354 0.83 RAB9A (0.41) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28814793 0.83 RAB9A (0.41) HPGDALDH1A1NPC1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009144263-A2 PROCESS FOR OBTAINING 4-HYDROXY-6-METHYL-5, 6-DIHYDRO-4H-THIENO [2,3-b] THIOPYRAN-7, 7-DIOXIDE AND ITS ENANTIOMERS, AND APPLICATIONS THEREOF RAGACTIVES, S.L.U. (ES) 2009-12-03 WO claimed
EP-2128161-A1 Process for obtaining 4-hydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-7,7-dioxide and its enantiomers, and applications thereof Ragactives, S.L. (ES) 2009-12-02 EP claimed
CN-114891838-A Synthesis method of dorzolamide hydrochloride intermediate (S) -3- (2-thiophenylthio) -butyric acid 株洲壹诺生物技术有限公司 2022-08-12 CN disclosed
WO-2009144263-A2 PROCESS FOR OBTAINING 4-HYDROXY-6-METHYL-5, 6-DIHYDRO-4H-THIENO [2,3-b] THIOPYRAN-7, 7-DIOXIDE AND ITS ENANTIOMERS, AND APPLICATIONS THEREOF RAGACTIVES, S.L.U. (ES) 2009-12-03 WO disclosed
EP-2128161-A1 Process for obtaining 4-hydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-7,7-dioxide and its enantiomers, and applications thereof Ragactives, S.L. (ES) 2009-12-02 EP disclosed