SCHEMBL7678539

SCHEMBL7678539

O=C(O)CC(Cc1cc(OCCc2ccc3c(n2)NCCC3)n[nH]1)c1ccc2c(c1)OCC2.O=C(O)CC(Cc1cc(OCCc2ccc3c(n2)NCCC3)n[nH]1)c1cccc(F)c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.75
ITGAV P06756 20/20 0.75
ITGB6 P18564 16/20 0.75
ITGA2B P08514 9/20 0.75
ITGB5 P18084 8/20 0.75
ITGB1 P05556 1/20 0.57

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
SCHEMBL7678551 0.94 ITGB3 (0.66) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL2838713 0.94 ITGB3 (0.84) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL2841497 0.93 ITGAV (0.74) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL2835442 0.86 ITGB3 (1.00) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL2838930 0.85 ITGB3 (0.78) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL2838535 0.82 ITGB3 (0.84) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL2837544 0.82 ITGB3 (0.73) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL2841970 0.81 ITGB3 (0.75) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL21562843 0.81 ITGAV (0.68) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL2841513 0.81 ITGB3 (0.73) ITGB3ITGAVITGB6ITGA2BITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US claimed

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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV ITGB3 5/4885ITGAV 3/4885ITGB6 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.