SCHEMBL9814548

SCHEMBL9814548

NC(=O)C(C(=O)O)c1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.50
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
DAO P14920 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
SRC P12931 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 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
SCHEMBL162736 0.90 SRC (0.50) ALOX5LCKFYNDAOIDO1
Hydrochloric Acid SCHEMBL11244144 0.88 SRC (0.48) ALOX5LCKFYNDAOIDO1
SCHEMBL10918696 0.88 SRC (0.48) ALOX5LCKFYNDAOIDO1
SCHEMBL31462137 0.82 ALOX5 (0.49) ALOX5LCKFYNDAOIDO1
SCHEMBL9814555 0.82 ALOX5 (0.41) ALOX5LCKFYNDAOIDO1
SCHEMBL10918695 0.81 SMN1; SMN2 (0.42) ALOX5LCKFYNDAOIDO1
SCHEMBL352655 0.78 ALOX5 (0.47) ALOX5LCKFYNDAOIDO1
SCHEMBL352654 0.78 ALOX5 (0.47) ALOX5LCKFYNDAOIDO1
SCHEMBL10759383 0.78 ALOX5 (0.56) ALOX5LCKFYNDAOIDO1
SCHEMBL4603992 0.78 ALOX5 (0.51) ALOX5LCKFYNDAOIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150984-B1 6-(SUBSTITUTED) METHYLENEPENICILLANIC AND 6-(SUBSTITUTED) HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1991-09-11 EP claimed
US-5015473-A Beta-lactamase inhibitors PFIZER INC. (US) 1991-05-14 US claimed
US-4826833-A ANTIBIOTICS PFIZER INC. (US) 1989-05-02 US claimed
CN-85101572-A Process for producing 6- (substituted) methylenepenicillanic acids, 6- (substituted) hydroxymethylpenicillanic acids and derivatives thereof 1986-10-29 CN claimed
EP-0150984-A2 6-(Substituted) methylenepenicillanic and 6-(substituted) hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1985-08-07 EP claimed
EP-0061313-B1 BIS-ESTERS OF 1,1-ALKANEDIOLS WITH 6-BETA-HYDROXYMETHYLPENICILLANIC ACID 1,1-DIOXIDE AND BETA-LACTAM ANTIBIOTICS PFIZER INC. (US) 1985-01-16 EP claimed
EP-0061313-A2 Bis-esters of 1,1-alkanediols with 6-beta-hydroxymethylpenicillanic acid 1,1-dioxide and beta-lactam antibiotics PFIZER INC. (US) 1982-09-29 EP claimed
US-4342768-A Bis-esters of 1,1-alkanediols with 6-beta-hydroxymethylpenicillanic acid 1,1-dioxide and beta-lactam antibiotics PFIZER INC. (US) 1982-08-03 US claimed
CN-1017802-B METHOD FOR PREPARING 6-(SUBSTD.) HYDROXYMETHYL-PENICILLANIC ACIDS OR 1,1-DIOXIDE AND DERIVS THEREOF PFIZER (US) 1992-08-12 CN disclosed
CN-1017801-B 6- (substituted) hydroxymethyl penicillanic acids or 1, 1-dioxides and derivatives thereof PFIZER (US) 1992-08-12 CN disclosed
CN-1015462-B METHOD FOR PREPARING 6-(SUBSTD.) METHYLENEPENICILLANIC ACIDS OR 1,1-DIOXIDE AND DERIVATIVES THEREOF PFIZER (US) 1992-02-12 CN disclosed
CN-1015461-B METHOD FOR PREPARING 6-(SUBSTD.) METHYLENEPENICILLANIC ACID AND 1,1-DIOXIDE, AND DERIVATIVES THEREOF PFIZER (US) 1992-02-12 CN disclosed
EP-0150984-B1 6-(SUBSTITUTED) METHYLENEPENICILLANIC AND 6-(SUBSTITUTED) HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1991-09-11 EP disclosed
US-5015473-A Beta-lactamase inhibitors PFIZER INC. (US) 1991-05-14 US disclosed
EP-0150984-A2 6-(Substituted) methylenepenicillanic and 6-(substituted) hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1985-08-07 EP disclosed
EP-0061313-B1 BIS-ESTERS OF 1,1-ALKANEDIOLS WITH 6-BETA-HYDROXYMETHYLPENICILLANIC ACID 1,1-DIOXIDE AND BETA-LACTAM ANTIBIOTICS PFIZER INC. (US) 1985-01-16 EP disclosed
US-4376076-A Bis-esters of 1,1-alkanediols with 6-beta-hydroxymethylpenicillanic acid 1,1-dioxide PFIZER INC. (US) 1983-03-08 US disclosed
EP-0061313-A2 Bis-esters of 1,1-alkanediols with 6-beta-hydroxymethylpenicillanic acid 1,1-dioxide and beta-lactam antibiotics PFIZER INC. (US) 1982-09-29 EP disclosed
US-4342768-A Bis-esters of 1,1-alkanediols with 6-beta-hydroxymethylpenicillanic acid 1,1-dioxide and beta-lactam antibiotics PFIZER INC. (US) 1982-08-03 US disclosed
US-4198406-A Carbamoyl heterocyclicthio cephalosporins and pharmaceutical compositions formulated therewith BEECHAM GROUP LIMITED (GB) 1980-04-15 US disclosed