SCHEMBL9075472

SCHEMBL9075472

CC(C)(C)OC(=O)NC(C(=O)O)c1csc(NC(=O)CCl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC8 Q9BY41 2/20 0.38
PI4KB Q9UBF8 1/20 0.38
PTPRB P23467 2/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CGAS Q8N884 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GLS O94925 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
ABCB1 P08183 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL22017475 0.88 PI4KB (0.42) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL11204633 0.88 PI4KB (0.42) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL9074827 0.88 CYP1A2 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL10649235 0.84 CGAS (0.42) KMT2ACGASALDH1A1KDM4ECDK5
SCHEMBL10649517 0.84 CGAS (0.42) KMT2ACGASALDH1A1KDM4ECDK5
SCHEMBL10654478 0.84 CGAS (0.42) KMT2ACGASALDH1A1KDM4ECDK5
SCHEMBL11264705 0.84 PI4KB (0.38) PI4KBPTPRBCTSSCTSKABCB1
SCHEMBL23452689 0.83 PTPRB (0.39) PI4KBPTPRBCTSSCTSKKMT2A
SCHEMBL9484015 0.83 TMIGD3 (0.38) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL10976928 0.81 CASP2 (0.41) KMT2ACGASALDH1A1KDM4ECDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583216-A Methods for the manufacture of cephems TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
US-4973684-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-11-27 US disclosed
US-4912212-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-27 US disclosed
US-4668783-A Thiazolylacetamido cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-26 US disclosed
US-4514565-A Thiazolylacetamido cephalosphorin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-30 US disclosed
US-4355160-A Thiazolylacetamido cephalosporin type compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-10-19 US disclosed
US-4298606-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-03 US disclosed
US-4205180-A CHEMICAL INTERMEDIATES FOR NOVEL CEPHALOSPORIN COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-27 US disclosed
US-4203899-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-20 US disclosed
US-4098888-A THIAZOLYLACETAMIDO CEPHALOSPORIN TYPE COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-07-04 US disclosed