SCHEMBL3049757

SCHEMBL3049757

CC(C)(C)OC(=O)N[C@@H](Cc1ccc2c(c1)NC(=O)C(CCC1NC(=N)NC1=O)O2)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
ACE P12821 2/20 0.40
CCKAR P32238 1/20 0.38
CCKBR P32239 1/20 0.38
PTPN1 P18031 2/20 0.38
PPARA Q07869 6/20 0.37
PPARG P37231 5/20 0.37
ITGA4 P13612 2/20 0.36
ITGB7 P26010 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
PPARD Q03181 2/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGB5 P18084 1/20 0.36

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
SCHEMBL7160937 0.95 IDO1 (0.43) IDO1ITGB3ITGA2BACECCKAR
SCHEMBL14181791 0.90 IDO1 (0.40) IDO1ACECCKARCCKBRPPARA
SCHEMBL7167872 0.86 IDO1 (0.46) IDO1ITGB3ITGA2BACECCKAR
SCHEMBL7160952 0.84 ITGB3 (0.45) IDO1ITGB3ITGA2BACECCKAR
SCHEMBL7164960 0.84 IDO1 (0.48) IDO1ITGB3ITGA2BACECCKAR
SCHEMBL7169163 0.84 IDO1 (0.43) IDO1ITGB3ITGA2BACECCKAR
SCHEMBL7164986 0.84 IDO1 (0.44) IDO1ITGB3ITGA2BACECCKAR
SCHEMBL6450695 0.82 IDO1 (0.39) IDO1ITGB3ITGA2BACECCKAR
SCHEMBL7159936 0.82 ITGB3 (0.43) IDO1ITGB3ITGA2BACECCKAR
SCHEMBL6570924 0.81 USP2 (0.34) USP2GAA

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-7648959-B2 Methods and compositions for the treatment of diseases of the eye MERCK PATENT GMBH (DE) 2010-01-19 US claimed
US-7645736-B2 injecting an alpha-v. beta 3 or alpha-v, beta 5 inhibitor into the vitreous body of the eye; angiogenesis inhibition; diabetic retinopathy, macular degeneration, myopia, ocular histoplasmosis; (2S)-2-benzyloxycarboxamido-3-(2-guanidinomethyl-1,4-benzodioxan-6-yl)propionic acid MERCK PATENT GMBH (DE) 2010-01-12 US claimed
US-20060287225-A1 Integrin inhibitors for the treatment of eye diseases SCRIPPS RESEARCH INSTITUTE, THE 2006-12-21 US claimed
US-20060223746-A1 Methods and compositions for the treatment of diseases of the eye SCRIPPS RESEARCH INSTITUTE, THE 2006-10-05 US claimed
EP-1411926-B1 INTEGRIN INHIBITORS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2005-06-01 EP claimed
US-20050085415-A1 Methods and compositions for the treatment of eye diseases MERCK PATENT GMBH (DE) 2005-04-21 US claimed
EP-1474162-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GmbH (DE) 2004-11-10 EP claimed
US-20040198644-A1 Integrin inhibitors for the treatment of eye diseases MERCK PATENT GESELLSCHAFT (DE) 2004-10-07 US claimed
EP-1411926-A1 INTEGRIN INHIBITORS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GmbH (DE) 2004-04-28 EP claimed
WO-2003068253-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2003-08-21 WO claimed
US-6559144-B2 Integrin inhibitors used to treat circulatory disorders, for thrombosis, myocardial infarct, coronary heart disease, arteriosclerosis, osteoporosis, pathological processes maintained or propagated by angiogenesis and tumor therapy MERCK PATENT GESELLSCHAFT MIT (DE) 2003-05-06 US claimed
WO-2003013511-A1 INTEGRIN INHIBITORS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2003-02-20 WO claimed
EP-0964856-B1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 2002-10-09 EP claimed
US-20010021709-A1 Bicyclic amino acids MERCK PATENT GESELLSCHAFT MIT BESCHRANKT PATENTS (DE) 2001-09-13 US claimed
US-7645736-B2 injecting an alpha-v. beta 3 or alpha-v, beta 5 inhibitor into the vitreous body of the eye; angiogenesis inhibition; diabetic retinopathy, macular degeneration, myopia, ocular histoplasmosis; (2S)-2-benzyloxycarboxamido-3-(2-guanidinomethyl-1,4-benzodioxan-6-yl)propionic acid MERCK PATENT GMBH (DE) 2010-01-12 US disclosed
US-20060287225-A1 Integrin inhibitors for the treatment of eye diseases SCRIPPS RESEARCH INSTITUTE, THE 2006-12-21 US disclosed
EP-1411926-B1 INTEGRIN INHIBITORS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2005-06-01 EP disclosed
EP-1381382-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES OF THE EYE MERCK PATENT GmbH (DE) 2004-01-21 EP disclosed
WO-2003068253-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2003-08-21 WO disclosed
WO-2002041910-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES OF THE EYE MERCK PATENT GMBH (DE) 2002-05-30 WO 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-20040198644-A1 Integrin inhibitors for the treatment of eye diseases ITGA5, ITGB5, ITGAV IDO1 1538/4885ITGB3 5/4885ITGA2B 7/4885
US-20010021709-A1 Bicyclic amino acids ITGA1, ITGB1, ITGB2 IDO1 1398/4885ITGB3 5/4885ITGA2B 14/4885
US-20060287225-A1 Integrin inhibitors for the treatment of eye diseases ITGA5, ITGAV, ITGB5 IDO1 1384/4885ITGB3 4/4885ITGA2B 7/4885
US-20060223746-A1 Methods and compositions for the treatment of diseases of the eye ITGA5, ITGAV, ITGB5 IDO1 4250/4885ITGB3 4/4885ITGA2B 6/4885
US-20050085415-A1 Methods and compositions for the treatment of eye diseases ITGA5, ITGB5, ITGAV IDO1 1288/4885ITGB3 4/4885ITGA2B 10/4885

“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.