SCHEMBL2491969

SCHEMBL2491969

CCOC(=O)CCn1ccc2cc(CCCc3ccc4c(n3)NCCC4)ccc21

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 18/20 0.60
ITGB3 P05106 16/20 0.60
ITGB5 P18084 4/20 0.56
ITGB6 P18564 5/20 0.43
ITGA2B P08514 2/20 0.42
ITGB8 P26012 2/20 0.42
CXCR4 P61073 1/20 0.42

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
SCHEMBL2490561 0.88 ITGB3 (0.72) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL2493746 0.86 ITGB3 (0.80) ITGAVITGB3ITGB5
SCHEMBL861858 0.82 ITGB3 (0.83) ITGAVITGB3ITGB5
SCHEMBL2489221 0.81 ITGB3 (0.82) ITGAVITGB3ITGB5
SCHEMBL20153341 0.80 ITGAV (0.47) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL6265738 0.80 ITGAV (0.56) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL19809630 0.79 ITGAV (0.61) ITGAVITGB3ITGB5ITGB6ITGA2B
SCHEMBL861782 0.79 SUCNR1 (0.44) ITGAVITGB3ITGB5
SCHEMBL16607379 0.78 ITGAV (0.60) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL22223353 0.78 ITGAV (0.60) ITGAVITGB3ITGB5ITGB6ITGB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
US-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester LU TIANBO 2007-09-20 US disclosed
US-7241789-B2 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICAL, INC. (US) 2007-07-10 US disclosed
US-20050250771-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-11-10 US disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US 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-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester ITGA5, ADGRE5, ITGAV ITGAV 3/4885ITGB3 10/4885ITGB5 8/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 ITGAV 1/4885ITGB3 6/4885ITGB5 3/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 ITGAV 1/4885ITGB3 10/4885ITGB5 8/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 ITGAV 1/4885ITGB3 6/4885ITGB5 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.