SCHEMBL9814779

SCHEMBL9814779

NC(=O)C(C(=O)O)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
KEAP1 Q14145 1/20 0.46
CYP2C19 P33261 2/20 0.44
DAO P14920 1/20 0.42
SRC P12931 1/20 0.40
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
POLB P06746 2/20 0.38
HPGDS O60760 1/20 0.37
NPC1 O15118 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CYP2C9 P11712 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL2305731 0.90 CES2 (0.50) ALOX5CES2CES1KEAP1CYP2C19
Hydrochloric Acid SCHEMBL31462135 0.86 CES2 (0.47) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL9814775 0.84 CES2 (0.46) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL11630933 0.82 CES2 (0.44) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL7537692 0.82 ALOX5 (0.45) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL21580782 0.78 ALOX5 (0.49) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL7955355 0.78 CES2 (0.61) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL13163250 0.78 ALOX5 (0.51) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL5027606 0.78 ALOX5 (0.51) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL1527335 0.78 ALOX5 (0.47) ALOX5CES2CES1KEAP1CYP2C19

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 45 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
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
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US 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-0073100-A1 Beta-lactam compounds, their preparation and their use BEECHAM GROUP PLC (GB) 1983-03-02 EP 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-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
EP-0034443-A2 Beta-lactam antibacterial compounds, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-08-26 EP disclosed
EP-0028497-A1 Beta-lactam antibiotics, their preparation and their use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-05-13 EP disclosed