SCHEMBL3046153

SCHEMBL3046153

O=C(O)CC(c1ccccc1)c1c[nH]c2cc(OCCCNc3ccccn3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.57
ITGAV P06756 19/20 0.57
ITGB1 P05556 6/20 0.57
ITGB5 P18084 4/20 0.57
ITGB6 P18564 3/20 0.57
ITGA2B P08514 2/20 0.45
MDM4 O15151 1/20 0.43
MDM2 Q00987 1/20 0.43
ITGA5 P08648 1/20 0.43

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
SCHEMBL6162794 1.00 ITGB3 (0.57) ITGB3ITGAVITGB1ITGB5ITGB6
Hydrochloric Acid SCHEMBL6696125 0.99 ITGB3 (0.56) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL3052806 0.97 ITGB3 (0.54) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6697749 0.96 ITGB3 (0.53) ITGB3ITGAVITGB1ITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6163896 0.96 ITGB3 (0.55) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6165576 0.96 ITGB3 (0.52) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6694974 0.95 ITGB3 (0.51) ITGB3ITGAVITGB1ITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6167633 0.94 ITGB3 (0.54) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6693162 0.94 ITGB3 (0.54) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6694759 0.94 ITGB3 (0.51) ITGB3ITGAVITGB1ITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254133-B9 INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2005-09-07 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-1254133-B1 INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2005-04-20 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
US-20040138284-A1 Indol-3-yl derivatives WIESNER MATTHIAS 2004-07-15 US claimed
US-6743810-B2 INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC MERCK PATENT GMBH (DE) 2004-06-01 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
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 US 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
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 US 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

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 3/4885ITGB1 6/4885
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation IGF1R, IDO1, ITGB3 ITGB3 3/4885ITGAV 67/4885ITGB1 4/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R ITGB3 1/4885ITGAV 35/4885ITGB1 2/4885
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.