SCHEMBL2339862

SCHEMBL2339862

N[C@@H]1C(=O)N2C(C(=O)O)=C(C=S)CS[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.54
KDM4E B2RXH2 4/20 0.54
HSD17B10 Q99714 3/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 7/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
SPOP O43791 5/20 0.40
DRD2 P14416 1/20 0.40
PTGS2 P35354 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CTDSP1 Q9GZU7 2/20 0.37
ABCC4 O15439 1/20 0.37

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
SCHEMBL1132035 0.90 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL8745854 0.90 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL1132191 0.90 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL1132036 0.90 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL1132192 0.90 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL1132808 0.90 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL1131847 0.87 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL12374918 0.87 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL7770365 0.87 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL5592457 0.87 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT

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
US-8071761-B2 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-06 US disclosed
EP-1405922-B1 Substrates for beta-lactamase and uses thereof UNIV CALIFORNIA (US) 2011-08-24 EP disclosed
US-20070184513-A1 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-09 US disclosed
US-7157575-B2 Substrates for β-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-02 US disclosed
EP-1405922-A2 Substrates for beta-lactamase and uses thereof The Regents of the University of California (US) 2004-04-07 EP disclosed
EP-0982398-B1 Nucleic acids and uses thereof for the assay of beta-lactamase UNIV CALIFORNIA (US) 2003-11-05 EP disclosed
US-20030119085-A1 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-06-26 US disclosed
US-6472205-B1 EXPRESSION CONTROL SEQUENCES ADAPTED FOR FUNCTION IN EUKARYOTIC CELL, OPERABLY LINKED TO SEQUENCE CODING CYTOSOLIC BETA-LACTAMASE; SCREENING BY CONTACTING HOST CELL WITH MEMBRANE PERMEABLE, FLUORESCENT SUBSTRATE OF BETA-LACTAMASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-10-29 US disclosed
US-6291162-B1 DETERMINING AMOUNT OF LACTAMASE ACTIVITY; TRANSFECTING CELLS WITH A NUCLEIC ACID HAVING AN EXPRESSION CONTROL SEQUENCE LINKED TO A SECRETION DEFECTIVE SEQUENCE; MIXING CELLS WITH LACTAMASE SUBSTRATE; DETERMINE AMOUNT OF CLEAVED SUBSTRATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-09-18 US disclosed
EP-0817785-B1 SUBSTRATES FOR BETA-LACTAMASE AND USES THEREOF UNIV CALIFORNIA (US) 2001-04-04 EP disclosed
EP-0982398-A1 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-03-01 EP disclosed
US-5955604-A Substrates for β-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-21 US disclosed
US-5741657-A MEASURING GENE EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-21 US disclosed
WO-1996030540-A2 SUBSTRATES FOR BETA-LACTAMASE AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-10-03 WO disclosed
EP-0047560-B1 PROCESS FOR THE PREPARATION OF 7-ACYLAMINO-3-(THIO-SUBSTITUTED)METHYL-3-CEPHEM-4-CARBOXYLIC ACID 1-OXIDE DERIVATIVES GIST-BROCADES N.V. (NL) 1985-04-10 EP disclosed
US-4472574-A Process for the manufacture of a cephem carboxylic acid derivative HOFFMAN-LA ROCHE INC. (US) 1984-09-18 US disclosed
US-4379923-A Preparation of 7-acylamino-3-(thio-substituted)-methyl 3-cephem-4-carboxylic acid-1-oxide derivatives GIST-BROCADES N.V. (NL) 1983-04-12 US disclosed
EP-0047560-A2 Process for the preparation of 7-acylamino-3-(thio-substituted)methyl-3-cephem-4-carboxylic acid 1-oxide derivatives GIST-BROCADES N.V. (NL) 1982-03-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030119085-A1 Substrates for beta-lactamase and uses thereof CMBL, GLB1, BBOX1 TDP1 2070/4885KDM4E 1286/4885HSD17B10 172/4885
US-20070184513-A1 Substrates for beta-lactamase and uses thereof CMBL, DBH, NCEH1 TDP1 3459/4885KDM4E 886/4885HSD17B10 457/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.