SCHEMBL5023982

SCHEMBL5023982

O=C(O)CC1CCC(=O)N(CC(=O)NCCCCNc2nc3ccccc3[nH]2)c2ccc(Cl)cc21

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.61
ITGAV P06756 19/20 0.61
KCNH2 Q12809 1/20 0.46
ITGA2B P08514 1/20 0.45
ITGB5 P18084 1/20 0.45

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
SCHEMBL5025631 0.99 ITGB3 (0.62) ITGB3ITGAVKCNH2ITGA2BITGB5
SCHEMBL5025667 0.91 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5
SCHEMBL5024060 0.90 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB5
SCHEMBL5023975 0.85 ITGB3 (0.84) ITGB3ITGAV
SCHEMBL6424509 0.84 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB5
SCHEMBL6440900 0.81 ITGB3 (0.49) ITGB3ITGAVKCNH2
SCHEMBL5026383 0.80 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB5
SCHEMBL5029926 0.79 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5
SCHEMBL6470347 0.77 ITGB3 (0.71) ITGB3ITGAV
SCHEMBL6424374 0.76 ITGB3 (0.70) ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B ITGB3 1/4885ITGAV 2/4885KCNH2 2194/4885

“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.