SCHEMBL7268474

SCHEMBL7268474

COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.76
GFER P55789 1/20 0.76
CYP2C9 P11712 2/20 0.72
CYP2C19 P33261 2/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
GAA P10253 1/20 0.72
KDM4E B2RXH2 1/20 0.69
CTSS P25774 3/20 0.59
CTSL P07711 3/20 0.58
ATM Q13315 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CNR2 P34972 1/20 0.56
CTSB P07858 2/20 0.55
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL7268468 1.00 POLB (0.76) POLBGFERCYP2C9CYP2C19CYP3A4
SCHEMBL27325266 0.89 POLB (0.61) POLBGFERCYP2C9CYP2C19CYP3A4
SCHEMBL7266820 0.89 POLB (0.61) POLBGFERCYP2C9CYP2C19CYP3A4
Norvaline SCHEMBL9515720 0.89 POLB (0.61) POLBGFERCYP2C9CYP2C19CYP3A4
SCHEMBL7300404 0.88 POLB (0.60) POLBGFERCYP2C9CYP2C19CYP3A4
SCHEMBL23489726 0.87 CTSL (0.62) POLBGFERCYP2C9CYP2C19CYP3A4
SCHEMBL5193787 0.87 POLB (0.74) POLBGFERCYP2C9CYP2C19CYP3A4
SCHEMBL7275964 0.87 POLB (0.74) POLBGFERCYP2C9CYP2C19CYP3A4
SCHEMBL7281081 0.85 POLB (0.72) POLBGFERCYP2C9CYP2C19CYP3A4
SCHEMBL25004070 0.85 CTSS (0.61) POLBGFERCYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9474759-B2 Broad-spectrum antivirals against 3C or 3C-like proteases of picornavirus-like supercluster: picornaviruses, caliciviruses and coronaviruses KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-10-25 US disclosed
US-9474759-B2 Broad-spectrum antivirals against 3C or 3C-like proteases of picornavirus-like supercluster: picornaviruses, caliciviruses and coronaviruses KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-10-25 US disclosed
US-20140243341-A1 BROAD-SPECTRUM ANTIVIRALS AGAINST 3C OR 3C-LIKE PROTEASES OF PICORNAVIRUS-LIKE SUPERCLUSTER: PICORNAVIRUSES, CALICIVIRUSES AND CORONAVIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-28 US disclosed
US-20140243341-A1 BROAD-SPECTRUM ANTIVIRALS AGAINST 3C OR 3C-LIKE PROTEASES OF PICORNAVIRUS-LIKE SUPERCLUSTER: PICORNAVIRUSES, CALICIVIRUSES AND CORONAVIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-28 US disclosed
WO-2013049382-A2 BROAD-SPECTRUM ANTIVIRALS AGAINST 3C OR 3C-LIKE PROTEASES OF PICORNAVIRUS-LIKE SUPERCLUSTER: PICORNAVIRUSES, CALICIVIRUSES AND CORONAVIRUSES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-04-04 WO disclosed
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
EP-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 EP disclosed
US-5214129-A Amidation of a protected amino acid by an di-O-protected dihydroxy-containing amine and coupling with a carboxylic acid; deprotecting; renin inhibitors; hypotensive agents ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 US disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 US disclosed
EP-0314239-A2 Tripeptide renin inhibitors with N-terminal ureido or sulfamido groups MERCK & CO. INC. (US) 1989-05-03 EP disclosed
EP-0312158-A2 Tetrapeptide renin inhibitors having novel c-terminal amino acid amide MERCK & CO. INC. (US) 1989-04-19 EP disclosed
EP-0312157-A2 Tetrapeptide renin inhibitors having a novel c-terminal amino acid MERCK & CO. INC. (US) 1989-04-19 EP disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed
EP-0295294-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-12-21 EP disclosed
WO-1988005050-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-07-14 WO disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 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 (1 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-20140243341-A1 BROAD-SPECTRUM ANTIVIRALS AGAINST 3C OR 3C-LIKE PROTEASES OF PICORNAVIRUS-LIKE SUPERCLUSTER: PICORNAVIRUSES, CALICIVIRUSES AND CORONAVIRUSES GTF3C3, TMPRSS15, PRSS3 POLB 1262/4885GFER 1882/4885CYP2C9 549/4885

“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.