SCHEMBL3048231

SCHEMBL3048231

CC(C)(C)COC(=O)N[C@@H](Cc1ccc2oc(CCCNc3nc4ccccc4[nH]3)cc(=O)c2c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.45
ITGAV P06756 16/20 0.45
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
PTPN1 P18031 1/20 0.41
BCHE P06276 1/20 0.39
ITGA2B P08514 2/20 0.39
ITGB5 P18084 2/20 0.39
PIN1 Q13526 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
SCHEMBL5204539 0.93 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5PTPN1
SCHEMBL14431792 0.88 BCHE (0.37) ITGB3ITGAVITGB1ITGA5BCHE
SCHEMBL3046466 0.86 ITGB3 (0.39) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL14431276 0.86 ITGB3 (0.39) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6505393 0.85 ITGB3 (0.42) ITGB3ITGAVITGB1ITGA5BCHE
SCHEMBL3048694 0.84 ITGB1 (0.50) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL14431255 0.84 ITGB1 (0.50) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6503005 0.83 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5PTPN1
SCHEMBL6504314 0.82 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5BCHE
SCHEMBL6495002 0.81 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124824-B1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2007-08-22 EP 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
US-6849646-B1 Chromenone and chromanone derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2005-02-01 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
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
US-7648959-B2 Methods and compositions for the treatment of diseases of the eye MERCK PATENT GMBH (DE) 2010-01-19 US disclosed
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
EP-1124824-B1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2007-08-22 EP disclosed
US-20060287225-A1 Integrin inhibitors for the treatment of eye diseases SCRIPPS RESEARCH INSTITUTE, THE 2006-12-21 US 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-2002041910-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES OF THE EYE MERCK PATENT GMBH (DE) 2002-05-30 WO disclosed
EP-1124824-A1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2001-08-22 EP disclosed
WO-2000026212-A1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2000-05-11 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 5/4885ITGAV 3/4885ITGB1 6/4885
US-20060287225-A1 Integrin inhibitors for the treatment of eye diseases ITGA5, ITGAV, ITGB5 ITGB3 4/4885ITGAV 2/4885ITGB1 5/4885
US-20040029788-A1 Methods and compositions for the treatment of diseases of the eye ITGA5, ITGAV, ITGB3 ITGB3 3/4885ITGAV 2/4885ITGB1 7/4885
US-20050085415-A1 Methods and compositions for the treatment of eye diseases ITGA5, ITGB5, ITGAV ITGB3 4/4885ITGAV 3/4885ITGB1 14/4885

“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.