SCHEMBL3048690

SCHEMBL3048690

CC(C)(C)COC(=O)N[C@@H](Cc1ccc2c(c1)C(=O)CC(CCCNc1ncc[nH]1)O2)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.38
ITGA2B P08514 16/20 0.38
ITGAV P06756 15/20 0.38

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
SCHEMBL3051444 0.87 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL13170313 0.81 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL3048321 0.80 ITGB3 (0.41) ITGB3ITGA2BITGAV
SCHEMBL3046466 0.75 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL14431276 0.75 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL3043268 0.73 ITGB1 (0.45) ITGB3ITGA2BITGAV
SCHEMBL3046224 0.73 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL8327726 0.73 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL1378559 0.73 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL4687097 0.73 ITGB3 (0.39) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411926-B1 INTEGRIN INHIBITORS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2005-06-01 EP 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
US-20040029788-A1 Methods and compositions for the treatment of diseases of the eye MERCK PATENT GMBH (DE) 2004-02-12 US claimed
EP-1381382-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES OF THE EYE MERCK PATENT GmbH (DE) 2004-01-21 EP claimed
WO-2003068253-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2003-08-21 WO claimed
WO-2003013511-A1 INTEGRIN INHIBITORS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2003-02-20 WO claimed
WO-2002041910-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES OF THE EYE MERCK PATENT GMBH (DE) 2002-05-30 WO claimed
EP-1124824-A1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2001-08-22 EP claimed
WO-2000026212-A1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2000-05-11 WO 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
US-20050085415-A1 Methods and compositions for the treatment of eye diseases MERCK PATENT GMBH (DE) 2005-04-21 US disclosed
EP-1474162-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GmbH (DE) 2004-11-10 EP disclosed
WO-2004087057-A2 METHODS FOR INHIBITION OF ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-10-14 WO disclosed
US-20040198644-A1 Integrin inhibitors for the treatment of eye diseases MERCK PATENT GESELLSCHAFT (DE) 2004-10-07 US disclosed
US-20040029788-A1 Methods and compositions for the treatment of diseases of the eye MERCK PATENT GMBH (DE) 2004-02-12 US disclosed
WO-2003068253-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2003-08-21 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 (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-20040198644-A1 Integrin inhibitors for the treatment of eye diseases ITGA5, ITGB5, ITGAV ITGB3 5/4885ITGA2B 7/4885ITGAV 3/4885
US-20060287225-A1 Integrin inhibitors for the treatment of eye diseases ITGA5, ITGAV, ITGB5 ITGB3 4/4885ITGA2B 7/4885ITGAV 2/4885
US-20040029788-A1 Methods and compositions for the treatment of diseases of the eye ITGA5, ITGAV, ITGB3 ITGB3 3/4885ITGA2B 8/4885ITGAV 2/4885
US-20050085415-A1 Methods and compositions for the treatment of eye diseases ITGA5, ITGB5, ITGAV ITGB3 4/4885ITGA2B 10/4885ITGAV 3/4885

“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.