SCHEMBL4245422

SCHEMBL4245422

COC(=O)C[C@@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)[C@@H]1CNc2ccccc2C1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.84
ITGAV P06756 20/20 0.84
ITGA2B P08514 16/20 0.84
ITGB5 P18084 10/20 0.84
ITGB1 P05556 1/20 0.46

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
SCHEMBL4239337 1.00 ITGB3 (0.84) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4242265 1.00 ITGB3 (0.84) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4243658 1.00 ITGB3 (0.84) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2925041 1.00 ITGB3 (0.84) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4243657 0.92 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2929086 0.92 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL29375520 0.92 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL547592 0.92 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4242696 0.92 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4238592 0.92 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1

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-8680278-B2 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US claimed
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
WO-2012102985-A1 ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2012-08-02 WO 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 8/4885ITGA2B 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.