SCHEMBL5025474

SCHEMBL5025474

O=C(O)CN1CCC(=O)N(CC(=O)NCC2CCC(Nc3nc4ccccc4[nH]3)CC2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.73
ITGAV P06756 18/20 0.73
HSD17B10 Q99714 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL5026489 0.97 ITGB3 (0.71) ITGB3ITGAVHSD17B10GSK3AGSK3B
SCHEMBL5029944 0.84 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5025481 0.84 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5026293 0.84 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5025476 0.83 ITGB3 (0.88) ITGB3ITGAV
SCHEMBL6424626 0.82 ITGB3 (0.59) ITGB3ITGAVHSD17B10
SCHEMBL5029817 0.81 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL5025457 0.81 ITGB3 (0.72) ITGB3ITGAV
SCHEMBL5028367 0.80 ITGB3 (0.79) ITGB3ITGAV
SCHEMBL5030043 0.80 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 2/4885HSD17B10 4617/4885

“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.