SCHEMBL5597331

SCHEMBL5597331

OC(=S)c1ccccc1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
BCL2 P10415 1/20 0.48
BCL2L1 Q07817 1/20 0.48
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 2/20 0.46
CALM1 P0DP23 1/20 0.46
HTR2A P28223 1/20 0.45
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
CAPN1 P07384 1/20 0.44
PTPN1 P18031 1/20 0.42
ALOX5 P09917 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
Thiobenzoic Acid SCHEMBL7714480 0.92 TSHR (0.50) TSHRBCL2BCL2L1CYP2D6CYP2C19
SCHEMBL8560558 0.88 TSHR (0.50) TSHRBCL2BCL2L1CYP2D6CYP2C19
SCHEMBL28883194 0.84 TSHR (0.54) TSHRSCN1ASCN2ASCN3ACA1
SCHEMBL7897721 0.83 TSHR (0.49) TSHRBCL2BCL2L1CYP2D6CYP2C19
SCHEMBL6270999 0.83 TSHR (0.49) TSHRBCL2BCL2L1CYP2D6CYP2C19
SCHEMBL11517264 0.83 TSHR (0.49) TSHRBCL2BCL2L1CYP2D6CYP2C19
SCHEMBL7020791 0.79 TSHR (0.49) TSHRBCL2BCL2L1CYP2D6CYP2C19
SCHEMBL11819720 0.79 MEN1 (0.46) HTR2AALDH1A1MAPTBLM
SCHEMBL28867831 0.79 TSHR (0.42) TSHRCYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL1247034 0.78 TSHR (0.61) TSHRBCL2BCL2L1CYP2D6CYP2C19

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102440245-A O- (2-chloro) benzylthio benzoic acid preparation, preparation method and application UNIV NANKAI 2012-05-09 CN claimed
CN-101700012-A O-(4-chloro) benzylthio benzoic acid preparation and preparation method as well as application UNIV NANKAI 2010-05-05 CN claimed
EP-1136521-B1 Process for preparing an ocular lens material having hydrophilic surface MENICON CO LTD (JP) 2007-02-21 EP claimed
US-5739228-A Polymerization using thionoester compounds as chain transfer agents COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1998-04-14 US claimed
CN-110997882-A Lubricating composition containing self-assembling polymethacrylate block copolymer and ethylene- α -olefin copolymer 路博润公司 2020-04-10 CN disclosed
CN-103355294-A O-(4-fluorine) thiophenyl benzoic acid water dispersible granule and preparation method thereof UNIV NANKAI 2013-10-23 CN disclosed
CN-102731354-A Preparation and plant growth-regulating activity of water-oil soluble o-(4-chloro) benzylthio-benzoate derivatives UNIV NANKAI 2012-10-17 CN disclosed
CN-102440245-A O- (2-chloro) benzylthio benzoic acid preparation, preparation method and application UNIV NANKAI 2012-05-09 CN disclosed
CN-102440245-A O- (2-chloro) benzylthio benzoic acid preparation, preparation method and application UNIV NANKAI 2012-05-09 CN disclosed
CN-101700012-A O-(4-chloro) benzylthio benzoic acid preparation and preparation method as well as application UNIV NANKAI 2010-05-05 CN disclosed
EP-0550111-B1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them SANOFI SA (FR) 1999-04-14 EP disclosed
US-5856349-A 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1999-01-05 US disclosed
US-5250696-A Treatment of degenerative diseases STERLING WINTHROP INC. (US) 1993-10-05 US disclosed
EP-0550112-A1 2-Saccharinylmethyl aryl and aryloxy acetates useful as proteolytic enzyme inhibitors and pharmaceutical compositions contaning them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed
EP-0550111-A1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed
EP-0549073-A1 Novel 2-saccharinylmethyl and 4,5,6,7-tetrahydro-2-saccharinylmethyl phosphates, phosphonates and phosphinates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1993-06-30 EP disclosed
US-5187173-A Degenerative diseases such as emphysema, rheumatoid arthritis, pancreatitis, cyctic fibrosis and skin disorders STERLING WINTHROP INC. (US) 1993-02-16 US disclosed
US-5128339-A Emphysema, rheumatoid arthritis, pancreatitis STERLING WINTHROP INC. (US) 1992-07-07 US disclosed
EP-0483928-A1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use STERLING WINTHROP INC. (US) 1992-05-06 EP disclosed
US-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 US disclosed