SCHEMBL7595642

SCHEMBL7595642

O=C(O)C[C@@H](c1ccc2c(c1)OCC2)N1CCN(CCCC2=CC=C3CCCNC3N2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 17/20 0.63
ITGB3 P05106 15/20 0.63
ITGB6 P18564 6/20 0.44
ITGB8 P26012 6/20 0.44
ITGA5 P08648 4/20 0.42
ITGB1 P05556 2/20 0.42
ITGA2B P08514 2/20 0.42

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
SCHEMBL7592559 1.00 ITGAV (0.63) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7553084 1.00 ITGAV (0.63) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7595601 0.87 ITGAV (0.49) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7591574 0.87 ITGAV (0.49) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7187503 0.87 ITGAV (0.48) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7554194 0.86 ITGAV (0.47) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7557728 0.86 ITGAV (0.47) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL4374753 0.85 ITGB3 (0.65) ITGAVITGB3ITGB6ITGB1ITGA2B
SCHEMBL7592528 0.85 ITGAV (0.48) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7595883 0.85 ITGAV (0.48) ITGAVITGB3ITGB6ITGB8ITGA5

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-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 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-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ITGAV 3210/4885ITGB3 2956/4885ITGB6 1933/4885

“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.