SCHEMBL5498934

SCHEMBL5498934

N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.47
KDM4E B2RXH2 7/20 0.47
TDP1 Q9NUW8 7/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPT P10636 6/20 0.42
HPGD P15428 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP3A4 P08684 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2C9 P11712 2/20 0.42
SLC15A2 Q16348 2/20 0.42
CTDSP1 Q9GZU7 2/20 0.42
NR1I2 O75469 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
HIF1A Q16665 1/20 0.42
BLM P54132 1/20 0.40
CYP2C19 P33261 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
SCHEMBL9567700 1.00 HSD17B10 (0.47) HSD17B10KDM4ETDP1TSHRPTGS1
SCHEMBL12047940 1.00 HSD17B10 (0.47) HSD17B10KDM4ETDP1TSHRPTGS1
SCHEMBL5498935 1.00 HSD17B10 (0.47) HSD17B10KDM4ETDP1TSHRPTGS1
SCHEMBL2150205 1.00 HSD17B10 (0.47) HSD17B10KDM4ETDP1TSHRPTGS1
SCHEMBL2150208 1.00 HSD17B10 (0.47) HSD17B10KDM4ETDP1TSHRPTGS1
Hydrochloric Acid SCHEMBL10671526 0.99 HSD17B10 (0.46) HSD17B10KDM4ETDP1TSHRPTGS1
Hydrochloric Acid SCHEMBL9481622 0.99 HSD17B10 (0.46) HSD17B10KDM4ETDP1TSHRPTGS1
Hydrochloric Acid SCHEMBL3912152 0.99 HSD17B10 (0.46) HSD17B10KDM4ETDP1TSHRPTGS1
Hydrochloric Acid SCHEMBL5147558 0.99 HSD17B10 (0.46) HSD17B10KDM4ETDP1TSHRPTGS1
Hydrochloric Acid SCHEMBL5147561 0.99 HSD17B10 (0.46) HSD17B10KDM4ETDP1TSHRPTGS1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347362-B1 PROCESS FOR PREPARING CEFTOLOZANE FROM 7-AMINOCEPHALOSPORANIC ACID (7-ACA) SANDOZ AG (CH) 2019-10-23 EP disclosed
US-9677112-B2 β-lactamase substrates and methods of their use for the diagnosis of tuberculosis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-06-13 US disclosed
US-9677112-B2 β-lactamase substrates and methods of their use for the diagnosis of tuberculosis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-06-13 US disclosed
EP-2763539-B1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LTD (GB) 2017-02-08 EP disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 US disclosed
US-20150167048-A1 BETA-LACTAMASE SUBSTRATES AND METHODS OF THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-18 US disclosed
US-20150167048-A1 BETA-LACTAMASE SUBSTRATES AND METHODS OF THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-18 US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 US disclosed
US-7427680-B2 Fluorogenic substrates for BETA-lactamase gene expression THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-23 US disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
EP-0346465-B1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed
EP-0550775-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-07-14 EP disclosed
US-5225406-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
US-5194432-A Drugs for treatment of infectious diseases; microbiocides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-16 US disclosed
EP-0492277-A2 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-07-01 EP disclosed
US-5084453-A Antibiotics, bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-01-28 US disclosed
US-5061794-A Effective against pseudomonads BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4960766-A SUBSTITUTED 2-PYRAZOLIOMETHYL GROUP AND A 7-(AMINOTHIAZOLYL) (ALKOXYIMINO)-ACETAMIDO GROUP CEPHALOSPORIN DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-02 US disclosed
EP-0346465-A1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 EP disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 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-20150167048-A1 BETA-LACTAMASE SUBSTRATES AND METHODS OF THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS PGLS, ENGASE, BPHL HSD17B10 312/4885KDM4E 3809/4885TDP1 2256/4885
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS MRPL21, PEPD, ABCB11 HSD17B10 2272/4885KDM4E 3556/4885TDP1 4832/4885

“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.