SCHEMBL2925480

SCHEMBL2925480

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.50
ITGAV P06756 10/20 0.50
ITGB6 P18564 3/20 0.40
ITGB1 P05556 2/20 0.40
ITGB5 P18084 2/20 0.40
ITGA5 P08648 1/20 0.40
ITGB8 P26012 1/20 0.40
ITGA8 P53708 1/20 0.40
ITGA2B P08514 3/20 0.40
NTRK1 P04629 6/20 0.39
MGLL Q99685 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2925340 0.92 ITGB3 (0.42) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL3257301 0.83 ITGB3 (0.49) ITGB3ITGAVITGA2BMGLLKDM4E
SCHEMBL2905737 0.77 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL2905097 0.77 ITGB3 (0.47) ITGB3ITGAVITGB6ITGA2B
SCHEMBL2906764 0.73 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL2928710 0.72 ITGB3 (0.43) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL2902881 0.70 ITGB3 (0.52) ITGB3ITGAVITGB6ITGA2B
SCHEMBL2927339 0.69 ITGB3 (0.41) ITGB3ITGAVITGB6ITGA2B
SCHEMBL2906882 0.69 ITGB3 (0.47) ITGB3ITGAVITGB1ITGB5ITGA2B
SCHEMBL7753126 0.68 ADRA2A (0.58) ITGB3ITGAVITGB1ITGB5ITGA2B

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
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
US-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2009-05-14 US 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 8/4885ITGB6 11/4885

“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.