SCHEMBL5477507

SCHEMBL5477507

CNC(=O)C[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CYP2D6 P10635 1/20 0.47
▸ CTSK P43235 11/20 0.42
▸ CTSS P25774 5/20 0.42
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ APLNR P35414 1/20 0.39
▸ CAPN1 P07384 1/20 0.38
▸ CA4 P22748 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL21342491 1.00 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL20207292 1.00 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL21342465 0.83 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL21342494 0.83 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL17169859 0.83 CA1 (0.63) CA1CA2CA7CYP2D6CTSK
SCHEMBL23833195 0.83 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL15994357 0.83 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL5198000 0.81 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL3018246 0.81 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL25270811 0.81 CA1 (0.51) CA1CA2CA7CYP2D6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 — — US disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 — — EP disclosed
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 — — WO disclosed
US-8772450-B2 Beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-07-08 — — US disclosed
US-8772450-B2 Beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-07-08 — — US disclosed
US-20130023644-A1 BETA-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-01-24 — — US disclosed
US-20070154882-A1 Beta-polypeptides that inhibit cytomegalovirus infection NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-05 — — US disclosed
US-20070154882-A1 Beta-polypeptides that inhibit cytomegalovirus infection NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-05 — — US disclosed
US-20070123709-A1 Beta-amino acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-31 — — US disclosed
US-20070123709-A1 Beta-amino acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-31 — — US disclosed
WO-2006099170-A2 BETA-POLYPEPTIDES THAT INHIBIT CYTOMEGALOVIRUS INFECTION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-09-21 — — WO disclosed
US-6683154-B1 UNNATURAL CATIONIC OLIGOMERS THAT HAVE NO KNOWN NATURAL COUNTERPART AND THAT DISPLAY ANTIBIOTIC ACTIVITY COMPARABLE TO THAT OF MAGAININ DERIVATIVE AGAINST AT LEAST FOUR DIFFERENT BACTERIAL SPECIES, YET EXHIBIT LOWER HEMOLYTIC ACTIVITY WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-01-27 — — US disclosed
US-6613876-B1 Covalently linking subunit of given formula to a plurality of separable solid substrates; deprotecting; used for generating combinatorial libraries WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-09-02 — — US disclosed
WO-2003008439-A1 ANTIMICROBIAL COMPOSITIONS CONTAINING β-AMINO ACID OLIGOMERS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2003-01-30 — — WO disclosed
US-20020037997-A1 Beta-amino acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-03-28 — — US disclosed
US-6060585-A β-polypeptide foldamers of well-defined secondary structure WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-05-09 — — US 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 (4 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-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R CA1 4748/4885CA2 2429/4885CA7 4159/4885
US-20070123709-A1 Beta-amino acids BCAT1, MARCKS, YWHAZ CA1 1425/4885CA2 3167/4885CA7 2456/4885
US-20020037997-A1 Beta-amino acids BCAT1, BCAT2, MARCKS CA1 1377/4885CA2 3717/4885CA7 3149/4885
US-20130023644-A1 BETA-AMINO ACIDS BCAT1, MARCKS, YWHAZ CA1 1425/4885CA2 3167/4885CA7 2456/4885

“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.

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