SCHEMBL2924877

SCHEMBL2924877

COC(=O)CC(c1ccc2c(c1)OCO2)C1CCN(C(=O)CCCNc2ccccn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.66
ITGAV P06756 8/20 0.66
ITGA2B P08514 6/20 0.66
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PKM P14618 1/20 0.40
FAAH O00519 1/20 0.40
RORC P51449 1/20 0.39
P4HB P07237 1/20 0.39
F2 P00734 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 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
SCHEMBL2924578 0.91 ITGB3 (0.75) ITGB3ITGAVITGA2BSMN1; SMN2NPC1
SCHEMBL2905930 0.87 ITGB3 (0.85) ITGB3ITGAVITGA2BGAASMN1; SMN2
SCHEMBL2922341 0.79 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL3536444 0.79 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL2905933 0.76 ITGB3 (0.45) ITGB3ITGAVITGA2BNPC1RAB9A
SCHEMBL2906491 0.74 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL2902148 0.73 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL2900012 0.72 ITGB3 (0.61) ITGB3ITGAVITGA2BF2
SCHEMBL2905452 0.71 ITGB3 (0.60) ITGB3ITGAVITGA2BF2
SCHEMBL2902210 0.71 ITGB3 (0.59) ITGB3ITGAVITGA2BFAAHF2

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
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP 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.