SCHEMBL2902129

SCHEMBL2902129

O=C(O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCCCC3)c2)CC1)c1cnc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.43
ITGAV P06756 10/20 0.43
ITGA2B P08514 9/20 0.43
ITGB5 P18084 4/20 0.43
F2R P25116 1/20 0.43
FAAH O00519 2/20 0.41
CCR3 P51677 1/20 0.37
CAPN1 P07384 1/20 0.36
ATR Q13535 1/20 0.36
CCNK O75909 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL2906935 0.92 FAAH (0.38) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL2906764 0.88 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL2925476 0.83 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL2899622 0.82 ITGB3 (0.51) ITGB3ITGAVITGA2BF2R
SCHEMBL2925954 0.81 ITGB3 (0.40) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL12808312 0.81 ITGB3 (0.40) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL2906558 0.78 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL2906110 0.76 FAAH (0.38) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL2901059 0.75 ITGB3 (0.43) ITGB3ITGAVITGA2BF2R
SCHEMBL2905737 0.74 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5

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 9 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
US-8680278-B2 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP disclosed
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP disclosed
US-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2009-05-14 US disclosed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 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.