SCHEMBL2925340

SCHEMBL2925340

COC(=O)CC(CC1CCN(C(=O)c2cccc(NC3=NCCN3)c2)CC1)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.42
ITGAV P06756 7/20 0.42
NTRK1 P04629 6/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
MGLL Q99685 1/20 0.38
ITGA2B P08514 4/20 0.37
ITGB1 P05556 3/20 0.37
ITGB5 P18084 3/20 0.37
ALDH1A1 P00352 2/20 0.36
ITGA5 P08648 1/20 0.36
ITGB6 P18564 1/20 0.36
ITGB8 P26012 1/20 0.36
ITGA8 P53708 1/20 0.36
LMNA P02545 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
SCHEMBL2925480 0.92 ITGB3 (0.50) ITGB3ITGAVNTRK1NTRK3NTRK2
SCHEMBL2906882 0.78 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2927339 0.78 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB6
SCHEMBL3257301 0.75 ITGB3 (0.49) ITGB3ITGAVMGLLITGA2BALDH1A1
SCHEMBL10154308 0.74 ITGB3 (0.41) ITGB3ITGAV
SCHEMBL2925954 0.74 ITGB3 (0.40) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8343883 0.73 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2925465 0.73 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2907613 0.71 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB6
SCHEMBL2899754 0.70 ITGB3 (0.38) ITGB3ITGAVNTRK1MGLLITGA2B

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 8/4885NTRK1 589/4885

“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.