SCHEMBL3046466

SCHEMBL3046466

CC(C)(C)COC(=O)N[C@@H](Cc1ccc2oc(CCCNc3ncc[nH]3)cc(=O)c2c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.39
ITGAV P06756 12/20 0.39
ITGA2B P08514 10/20 0.37
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35
TYR P14679 1/20 0.34
PPARG P37231 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TPSAB1 Q15661 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL14431276 1.00 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL5203532 0.93 ITGB3 (0.34) ITGB3ITGAVITGA2BTYRPRSS1
SCHEMBL3048694 0.86 ITGB1 (0.50) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL14431255 0.86 ITGB1 (0.50) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL3048231 0.86 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6495597 0.85 ITGB3 (0.39) ITGB3ITGAVITGA2B
SCHEMBL6498071 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2BTYRPPARG
SCHEMBL3052420 0.83 ITGB3 (0.44) ITGB3ITGAVITGA2BTYRPPARG
SCHEMBL6495275 0.83 ITGB3 (0.36) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL3048114 0.83 ITGB3 (0.44) ITGB3ITGAVITGA2BTYRPPARG

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 25 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
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
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-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
US-20060223746-A1 Methods and compositions for the treatment of diseases of the eye SCRIPPS RESEARCH INSTITUTE, THE 2006-10-05 US disclosed
EP-1411926-A1 INTEGRIN INHIBITORS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GmbH (DE) 2004-04-28 EP 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
WO-2003013511-A1 INTEGRIN INHIBITORS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2003-02-20 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 (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 ITGB3 5/4885ITGAV 3/4885ITGA2B 7/4885
US-20060287225-A1 Integrin inhibitors for the treatment of eye diseases ITGA5, ITGAV, ITGB5 ITGB3 4/4885ITGAV 2/4885ITGA2B 7/4885
US-20060223746-A1 Methods and compositions for the treatment of diseases of the eye ITGA5, ITGAV, ITGB5 ITGB3 4/4885ITGAV 2/4885ITGA2B 6/4885
US-20040029788-A1 Methods and compositions for the treatment of diseases of the eye ITGA5, ITGAV, ITGB3 ITGB3 3/4885ITGAV 2/4885ITGA2B 8/4885
US-20050085415-A1 Methods and compositions for the treatment of eye diseases ITGA5, ITGB5, ITGAV ITGB3 4/4885ITGAV 3/4885ITGA2B 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.