SCHEMBL2907615

SCHEMBL2907615

COC(=O)CC(Cc1ccccc1)CC(C1=COCO1)C1CCN(C(=O)c2cccc(NC3=NCC(O)CN3)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.38
ITGAV P06756 12/20 0.38
ITGA2B P08514 3/20 0.38
ITGB6 P18564 5/20 0.36
GPR52 Q9Y2T5 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NTRK1 P04629 1/20 0.32

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
SCHEMBL2927343 0.89 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB6GPR52
SCHEMBL2901065 0.85 YAP1 (0.33) ITGB3ITGAVITGA2BGPR52KMT2A
SCHEMBL2927339 0.72 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB6
SCHEMBL2905933 0.71 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB6
SCHEMBL2907613 0.71 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB6GPR52
SCHEMBL2925465 0.69 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB6GPR52
SCHEMBL2927477 0.68 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL2906110 0.68 FAAH (0.38) ITGB3ITGAVITGA2BITGB6GPR52
SCHEMBL2899754 0.68 ITGB3 (0.38) ITGB3ITGAVITGA2BITGB6GPR52
SCHEMBL2902881 0.66 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2009-05-14 US 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.