SCHEMBL3048694

SCHEMBL3048694

CC(C)(C)COC(=O)N[C@@H](Cc1ccc2oc(CCCNc3ccccn3)cc(=O)c2c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.50
ITGA5 P08648 10/20 0.50
MDM4 O15151 1/20 0.45
MDM2 Q00987 1/20 0.45
ITGB3 P05106 10/20 0.45
ITGAV P06756 8/20 0.45
ITGA2B P08514 5/20 0.39
TYR P14679 1/20 0.38
ITGB5 P18084 1/20 0.37
ITGB6 P18564 1/20 0.37

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
SCHEMBL14431255 1.00 ITGB1 (0.50) ITGB1ITGA5MDM4MDM2ITGB3
SCHEMBL5207016 0.93 ITGB1 (0.42) ITGB1ITGA5MDM4MDM2ITGB3
SCHEMBL14431257 0.93 ITGB1 (0.42) ITGB1ITGA5MDM4MDM2ITGB3
SCHEMBL3046466 0.86 ITGB3 (0.39) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL14431276 0.86 ITGB3 (0.39) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL13170302 0.85 ITGB1 (0.49) ITGB1ITGA5MDM4MDM2ITGB3
SCHEMBL6496052 0.84 ITGB1 (0.47) ITGB1ITGA5MDM4MDM2ITGB3
SCHEMBL6498071 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2BTYR
SCHEMBL13170301 0.84 ITGB1 (0.53) ITGB1ITGA5MDM4MDM2ITGB3
SCHEMBL3048231 0.84 ITGB3 (0.45) ITGB1ITGA5ITGB3ITGAVITGA2B

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
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
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-1381382-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES OF THE EYE MERCK PATENT GmbH (DE) 2004-01-21 EP disclosed
WO-2003013511-A1 INTEGRIN INHIBITORS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2003-02-20 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
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 ITGB1 6/4885ITGA5 1/4885MDM4 4368/4885
US-20060287225-A1 Integrin inhibitors for the treatment of eye diseases ITGA5, ITGAV, ITGB5 ITGB1 5/4885ITGA5 1/4885MDM4 4570/4885
US-20060223746-A1 Methods and compositions for the treatment of diseases of the eye ITGA5, ITGAV, ITGB5 ITGB1 7/4885ITGA5 1/4885MDM4 4698/4885
US-20040029788-A1 Methods and compositions for the treatment of diseases of the eye ITGA5, ITGAV, ITGB3 ITGB1 7/4885ITGA5 1/4885MDM4 4674/4885
US-20050085415-A1 Methods and compositions for the treatment of eye diseases ITGA5, ITGB5, ITGAV ITGB1 14/4885ITGA5 1/4885MDM4 4547/4885

“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.