SCHEMBL8977584

SCHEMBL8977584

O=S(=O)(O)c1c(Cl)ccc(O)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C9 P11712 1/20 0.39
TSHR P16473 4/20 0.38
CXCR2 P25025 3/20 0.36
CX3CR1 P49238 1/20 0.36
HSD17B10 Q99714 5/20 0.35
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
CLCN2 P51788 1/20 0.33
CXCR1 P25024 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
THRB P10828 1/20 0.31
ALOX15 P16050 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
SCHEMBL19206145 0.84 CYP3A4 (0.41) CYP3A4MAPK1CYP2C9TSHRCXCR2
SCHEMBL1955903 0.83 CYP3A4 (0.50) CYP3A4MAPK1CYP2C9TSHRCXCR2
SCHEMBL27862996 0.79 CYP3A4 (0.37) CYP3A4MAPK1TSHRCXCR2HSD17B10
SCHEMBL11053121 0.79 CYP2C9 (0.51) CYP3A4MAPK1CYP2C9TSHRCXCR2
SCHEMBL11789072 0.78 CYP2C9 (0.39) CYP3A4MAPK1CYP2C9TSHRHSD17B10
SCHEMBL14395756 0.77 DPP4 (0.41) CYP3A4MAPK1CYP2C9TSHRCXCR2
SCHEMBL9349986 0.75 CYP3A4 (0.37) CYP3A4MAPK1CYP2C9TSHRHSD17B10
SCHEMBL5728040 0.74 TSHR (0.48) CYP2C9TSHRCXCR2CX3CR1ALDH1A1
SCHEMBL10422854 0.74 HSD17B10 (0.50) CYP3A4MAPK1CYP2C9TSHRHSD17B10
SCHEMBL10424568 0.74 HPGD (0.47) CYP3A4MAPK1TSHRHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021054432-A1 METHOD FOR MEASURING TARGET COMPONENT USING ENZYME, AND MEASUREMENT REAGENT 積水メディカル株式会社 2021-03-25 WO claimed
US-3954690-A Removal of sulfuric acid compounds HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-04 US claimed
WO-2021054432-A1 METHOD FOR MEASURING TARGET COMPONENT USING ENZYME, AND MEASUREMENT REAGENT 積水メディカル株式会社 2021-03-25 WO disclosed
EP-0496993-B1 Enzymatic process for preparing 7-aminocephalosporanic acid and derivatives ANTIBIOTICOS SPA (IT) 1996-05-01 EP disclosed
US-5424196-A Oxidative deamination of Cephalosporin C by immobilized D-aminoacid oxidase (Rhodotorula) and oxygen; deacetylation using immobilized glutaryl-7-aminocephalosporanic acid acylase; water-insoluble and reuseable enzyme supports ANTIBIOTICOS S.P.A. (IT) 1995-06-13 US disclosed
EP-0496993-A1 Enzymatic process for preparing 7-aminocephalosporanic acid and derivatives ANTIBIOTICOS, S.p.A. (IT) 1992-08-05 EP disclosed
US-5126246-A Measurement of glycerol or fatty acid produced by enzymatic hydrolysis with combination of lipases TOYO JOZO COMPANY, LTD. (JP) 1992-06-30 US disclosed
US-5047329-A Method for the measurement of creatine or creatinine and reagents for these measurements NODA INSTITUTE FOR SCIENTIFIC RESEARCH (JP) 1991-09-10 US disclosed
US-4916078-A SUPERIMPOSING FORCE ON FLUID FLOW BOEHRINGER MANNHEIM GMBH (DE) 1990-04-10 US disclosed
US-4898832-A Process for carrying out analytical determinations and means for carrying out this process BOEHRINGER MANNHEIM GMBH (DE) 1990-02-06 US disclosed
US-4740465-A CULTURING BACILLUS NODA INSTITUTE FOR SCIENTIFIC RESEARCH (JP) 1988-04-26 US disclosed
US-4521519-A PHOSPHOTUNGSTIC ACID AND MAGNESIUM IONS BOEHRINGER MANNHEIM GMBH (DE) 1985-06-04 US disclosed
EP-0064665-B1 PRECIPITATING REAGENT FOR PRE-B-LIPOPROTEINS, METHOD OF PREPARING THE SAME AND ITS USE IN THE DETERMINATION OF HDL CHOLESTEROL Roche Diagnostics GmbH (DE) 1985-04-10 EP disclosed
EP-0064665-A1 Precipitating reagent for pre-B-lipoproteins, method of preparing the same and its use in the determination of HDL cholesterol Roche Diagnostics GmbH (DE) 1982-11-17 EP disclosed
US-4025479-A Removal of sulfuric acid compounds HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-24 US disclosed
US-3954690-A Removal of sulfuric acid compounds HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed