SCHEMBL2922341

SCHEMBL2922341

O=C(O)CC(CCC1CCN(C(=O)CCCNc2ccccn2)CC1)c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 17/20 1.00
ITGA2B P08514 14/20 1.00
F2R P25116 1/20 0.45
ITGB5 P18084 3/20 0.44
ITGB6 P18564 3/20 0.44

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
SCHEMBL2905930 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2BF2R
SCHEMBL2924578 0.86 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL3688040 0.83 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL3536444 0.83 ITGB3 (0.71) ITGB3ITGAVITGA2BF2RITGB5
SCHEMBL2899617 0.82 ITGB3 (0.70) ITGB3ITGAVITGA2BF2RITGB5
SCHEMBL2899066 0.82 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2924877 0.79 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL2900012 0.76 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2905452 0.75 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB6
SCHEMBL2902210 0.75 ITGB3 (0.59) ITGB3ITGAVITGA2BF2RITGB5

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 5 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-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP 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.