SCHEMBL8068032

SCHEMBL8068032

[NH]C(=O)c1cc(C(=O)O)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
ALPL P05186 9/20 0.44
CA12 O43570 4/20 0.44
MAPK1 P28482 1/20 0.44
HCAR2 Q8TDS4 4/20 0.44
DAO P14920 1/20 0.44
HCAR3 P49019 3/20 0.44
RPA1 P27694 1/20 0.43
PIN1 Q13526 1/20 0.42
CA9 Q16790 2/20 0.41
CYTH3 O43739 1/20 0.40
BTK Q06187 1/20 0.40
EPN1 Q9Y6I3 1/20 0.40

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
SCHEMBL70577 0.85 HCAR2 (0.59) TP53ALPLCA12MAPK1HCAR2
SCHEMBL28638090 0.83 HCAR2 (0.57) TP53ALPLCA12MAPK1HCAR2
Hydrochloric Acid SCHEMBL7723258 0.83 HCAR2 (0.57) TP53ALPLCA12MAPK1HCAR2
Hydrochloric Acid SCHEMBL11595364 0.83 HCAR2 (0.57) TP53ALPLCA12MAPK1HCAR2
Water SCHEMBL1267709 0.83 HCAR2 (0.57) TP53ALPLCA12MAPK1HCAR2
SCHEMBL19987833 0.83 HCAR2 (0.57) TP53ALPLCA12MAPK1HCAR2
Ammonia Solution, Strong SCHEMBL28463590 0.81 HCAR2 (0.55) TP53ALPLCA12MAPK1HCAR2
SCHEMBL8068037 0.79 ALPL (0.47) TP53ALPLCA12MAPK1HCAR2
SCHEMBL12943881 0.79 TP53 (0.47) TP53ALPLCA12MAPK1HCAR2
SCHEMBL1815487 0.79 MAPK1 (0.48) TP53ALPLCA12MAPK1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565351-B1 Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters LILLY CO ELI (US) 2000-08-23 EP disclosed
US-5512454-A Enzymatic acylation of 3-hydroxymethyl cephalosporins BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-30 US disclosed
US-5350845-A Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters ELI LILLY AND COMPANY (US) 1994-09-27 US disclosed
EP-0611770-A2 A process for preparing acid halides ELI LILLY AND COMPANY (US) 1994-08-24 EP disclosed
EP-0565351-A2 Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters ELI LILLY AND COMPANY (US) 1993-10-13 EP disclosed
US-5221739-A Acetylation of 3-hydroxymethyl cephalosporins ELI LILLY AND COMPANY (US) 1993-06-22 US disclosed
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
EP-0511002-A2 C-3 phosphine oxide substituted carbacephalosporins ELI LILLY AND COMPANY (US) 1992-10-28 EP disclosed
EP-0494733-A1 Trifluoromethyl 1-carba(1-dethia)cephems ELI LILLY AND COMPANY (US) 1992-07-15 EP disclosed
EP-0494118-A1 Process for 3-exomethylenecepham sulfoxide esters ELI LILLY AND COMPANY (US) 1992-07-08 EP disclosed
US-5099015-A Antibiotics formed by bromination of trifluoromethanesulfonyl containing cephalosporins ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed
US-5084568-A Process for preparing acid halides ELI LILLY AND COMPANY (US) 1992-01-28 US disclosed
US-5084447-A Antibiotics as bactericides ELI LILLY AND COMPANY (US) 1992-01-28 US disclosed
US-5013854-A Process for preparing acid halides ELI LILLY AND COMPANY (US) 1991-05-07 US disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4885291-A 1-carba(dethia)-3-cephem derivatives ELI LILLY AND COMPANY (US) 1989-12-05 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed