SCHEMBL149117

SCHEMBL149117

CN(C(N)=O)[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.32
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL28531439 0.87 ECE1 (0.32) ECE1ALOX15BLMPMP22KMT2A
SCHEMBL15274 0.82 TDP1 (0.35) ECE1ALOX15BLMPMP22KMT2A
SCHEMBL197014 0.82 TDP1 (0.35) ECE1ALOX15BLMPMP22KMT2A
SCHEMBL29094786 0.78 PTGS1 (0.39) ALOX15BLMNOS3NOS1NOS2
SCHEMBL2581321 0.77 AAK1 (0.38) KMT2A
SCHEMBL17772929 0.77 ECE1 (0.31) ECE1ALOX15BLMPMP22KMT2A
SCHEMBL5274957 0.76 GRIK1 (0.33)
SCHEMBL16666108 0.75 CYP1A2 (0.43) PMP22
SCHEMBL22551091 0.75 CYP1A2 (0.43) PMP22
SCHEMBL755816 0.74 HTR2A (0.32) ECE1ALOX15BLMPMP22KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-12 US disclosed
US-20120058983-A1 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 US disclosed
US-8101601-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-29 US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 US disclosed
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders BAYER HELTHCARE AG 2011-02-10 US disclosed
US-7883713-B2 Suspension, ointment, solution, spray, lotion, gel, cream, powder, powder spray, paste, emulsion, foam or stick; for treatment of herpes infections in humans AICURIS GMBH & CO. KG (DE) 2011-02-08 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 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 (7 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 ECE1 106/4885ALOX15 1747/4885BLM 4655/4885
US-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS PLG, AADAC, DNPEP ECE1 336/4885ALOX15 896/4885BLM 4487/4885
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS AADAC, AADAT, AASDHPPT ECE1 527/4885ALOX15 992/4885BLM 4836/4885
US-20100273789-A1 AMINOACYL PRODRUGS AADAC, DNPEP, AADAT ECE1 779/4885ALOX15 1251/4885BLM 4807/4885
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders PLG, AADAC, DNPEP ECE1 336/4885ALOX15 896/4885BLM 4487/4885
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF DNPEP, AADAT, DAO ECE1 130/4885ALOX15 1334/4885BLM 4653/4885
US-20120058983-A1 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension ADORA1, ADORA3, ADORA2A ECE1 294/4885ALOX15 1266/4885BLM 1657/4885

“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.