SCHEMBL2901059

SCHEMBL2901059

COC(=O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCCCC3)c2)CC1)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.43
ITGAV P06756 8/20 0.43
ITGA2B P08514 8/20 0.43
RORC P51449 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
F2R P25116 1/20 0.35

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
SCHEMBL2899622 0.92 ITGB3 (0.51) ITGB3ITGAVITGA2BSMN1; SMN2L3MBTL1
SCHEMBL2907613 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2BSMN1; SMN2L3MBTL1
SCHEMBL2906935 0.83 FAAH (0.38) ITGB3ITGAVITGA2BF2R
SCHEMBL2927339 0.77 ITGB3 (0.41) ITGB3ITGAVITGA2BSMN1; SMN2L3MBTL1
SCHEMBL2902881 0.76 ITGB3 (0.52) ITGB3ITGAVITGA2BF2R
SCHEMBL2902129 0.75 ITGB3 (0.43) ITGB3ITGAVITGA2BF2R
SCHEMBL2906882 0.74 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL2901789 0.74 ITGB3 (0.37) ITGB3ITGAVITGA2B
SCHEMBL2925954 0.72 ITGB3 (0.40) ITGB3ITGAVITGA2BF2R
SCHEMBL2901065 0.70 YAP1 (0.33) ITGB3ITGAVITGA2BALDH1A1

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
US-8680278-B2 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US 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.