SCHEMBL7203141

SCHEMBL7203141

COc1ccc(CC2=C(C(=O)O)N3C(=O)C(=Cc4cn5c(n4)S(=O)(=O)CCC5)[C@H]3S2)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL8888122 0.95 MEN1 (0.30) MEN1KMT2A
SCHEMBL8886897 0.85 TSHR (0.34) MEN1KMT2A
SCHEMBL8887806 0.83 TSHR (0.36) MEN1KMT2A
SCHEMBL10467409 0.75 MAPT (0.36) MEN1KMT2A
Anisole SCHEMBL8846538 0.68 POLB (0.39) MEN1KMT2A
SCHEMBL8128666 0.68
SCHEMBL7183624 0.67
SCHEMBL8136114 0.62
SCHEMBL8889147 0.62 ELANE (0.46) MEN1KMT2A
SCHEMBL9288838 0.61 ALDH1A1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6600035-B1 Multistage reaction of forming penicillin antibiotics SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-29 US disclosed
US-5602250-A ANTIBIOTICS, BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-11 US disclosed