SCHEMBL514

SCHEMBL514

COC(=O)c1cccc(-c2ccc(C)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.66
CA9 Q16790 2/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
ERN1 O75460 1/20 0.60
PLAU P00749 4/20 0.59
TDP1 Q9NUW8 1/20 0.58
TCF4 P15884 1/20 0.55
CTNNB1 P35222 1/20 0.55
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
PGGT1B P53609 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
PLAT P00750 2/20 0.53
PLG P00747 1/20 0.53
EGFR P00533 1/20 0.53
CDK8 P49336 1/20 0.52

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
SCHEMBL27715902 0.91 CA12 (0.71) CA12CA9CA1CA2ERN1
SCHEMBL68931 0.89 CA12 (0.69) CA12CA9CA1CA2ERN1
SCHEMBL67941 0.89 CA12 (0.68) CA12CA9CA1CA2ERN1
SCHEMBL30285148 0.88 CA12 (0.59) CA12CA9CA1CA2ERN1
SCHEMBL7719381 0.88 CA12 (0.59) CA12CA9CA1CA2ERN1
SCHEMBL1221576 0.87 TSHR (0.67) CA12CA9CA1CA2ERN1
SCHEMBL29410906 0.87 TSHR (0.67) CA12CA9CA1CA2ERN1
SCHEMBL21241138 0.87 TDP1 (0.69) CA12CA9CA1CA2ERN1
SCHEMBL30443216 0.86 CA12 (0.66) CA12CA9CA1CA2ERN1
SCHEMBL1661764 0.86 CA12 (0.66) CA12CA9CA1CA2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211045-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS UNIV WASHINGTON (US) 2019-07-11 US disclosed
US-10273260-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2019-04-30 US disclosed
EP-2672820-B1 MANNOSIDE COMPOUNDS AND METHODS OF USE THEREOF UNIV WASHINGTON (US) 2019-04-17 EP disclosed
US-10196373-B2 Substituted 2-hydroxy-4-(2-(phenylsulfonamido)acetamido)benzoic acid analogs as inhibitors of STAT protein THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2019-02-05 US disclosed
US-20170247401-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS WASHINGTON UNIVERSITY 2017-08-31 US disclosed
US-20170247401-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS WASHINGTON UNIVERSITY 2017-08-31 US disclosed
US-9567362-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2017-02-14 US disclosed
US-9567362-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2017-02-14 US disclosed
US-20150197538-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-16 US disclosed
US-20150197538-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-16 US disclosed
US-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed
US-5155118-A Administering angiotensin inhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed
US-5153197-A Treatment of hypertension with angiotensin II blocking imidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 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 (5 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-10273260-B2 Compounds and methods for treating bacterial infections MMP8, ELANE, GUSB CA12 335/4885CA9 205/4885CA1 1322/4885
US-20170247401-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB CA12 335/4885CA9 205/4885CA1 1322/4885
US-20190211045-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB CA12 335/4885CA9 205/4885CA1 1322/4885
US-10196373-B2 Substituted 2-hydroxy-4-(2-(phenylsulfonamido)acetamido)benzoic acid analogs as inhibitors of STAT protein STAT3, STAT1, STAT4 CA12 4080/4885CA9 3769/4885CA1 2562/4885
US-20150197538-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB CA12 335/4885CA9 205/4885CA1 1322/4885

“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.