SCHEMBL853110

SCHEMBL853110

CCOC(=O)CC(c1ccccc1)n1ccc2cc(OCCON)ccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.51
ITGAV P06756 14/20 0.51
ITGB5 P18084 2/20 0.47
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2494146 0.90 ITGB3 (0.51) ITGB3ITGAVITGB5MAPTKMT2A
SCHEMBL2492323 0.87 ITGB3 (0.53) ITGB3ITGAVITGB5MAPTKMT2A
SCHEMBL852515 0.86 ITGB3 (0.48) ITGB3ITGAVITGB5MAPTKMT2A
SCHEMBL861393 0.85 ITGB3 (0.57) ITGB3ITGAVITGB5MAPTKMT2A
SCHEMBL861748 0.81 LMNA (0.43) ITGB3ITGAVITGB5MAPTKMT2A
SCHEMBL852592 0.81 ITGB3 (0.58) ITGB3ITGAVITGB5
SCHEMBL861140 0.80 ITGB3 (0.83) ITGB3ITGAVITGB5
SCHEMBL861318 0.77 ITGB3 (0.83) ITGB3ITGAVITGB5
SCHEMBL854037 0.77 ITGB3 (0.50) ITGB3ITGAVITGB5
SCHEMBL4247556 0.76 ITGB3 (0.60) ITGB3ITGAVITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
EP-1425010-A4 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-07-29 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
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 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-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 ITGB3 10/4885ITGAV 3/4885ITGB5 8/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 ITGB3 6/4885ITGAV 1/4885ITGB5 3/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 ITGB3 10/4885ITGAV 1/4885ITGB5 8/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 ITGB3 6/4885ITGAV 1/4885ITGB5 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.