SCHEMBL2902248

SCHEMBL2902248

O=C(O)CC(CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1cccs1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.73
ITGAV P06756 20/20 0.73
ITGA2B P08514 12/20 0.73
ITGB5 P18084 11/20 0.71
ITGB1 P05556 1/20 0.54

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
SCHEMBL2899882 0.91 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2902283 0.88 ITGB3 (0.86) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2927647 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2905509 0.84 ITGB3 (0.83) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL548056 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4245408 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2923664 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2926965 0.83 ITGB3 (0.87) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2906666 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL547914 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
US-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2009-05-14 US claimed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO claimed
EP-2217569-B1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA NV (BE) 2014-04-16 EP disclosed
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP disclosed
EP-2139331-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF The Regents of the University of Michigan (US) 2010-01-06 EP disclosed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO disclosed
WO-2008112553-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-18 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 (1 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-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid ITGA5, ITGA1, ITGB5 ITGB3 13/4885ITGAV 8/4885ITGA2B 6/4885

“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.