SCHEMBL21294596

SCHEMBL21294596

COc1ccc([C@H](CC(=O)O)c2ncc(CCCCc3ccc4c(n3)NCCC4)n2C)cn1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.70
ITGB3 P05106 18/20 0.70
ITGB1 P05556 2/20 0.65
ITGA5 P08648 2/20 0.65
ITGB6 P18564 8/20 0.64
ITGB8 P26012 5/20 0.64
ITGA2B P08514 3/20 0.64
ITGB5 P18084 3/20 0.58

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
SCHEMBL20142169 1.00 ITGAV (0.70) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL29797176 1.00 ITGAV (0.70) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20142541 1.00 ITGAV (0.70) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20139777 0.93 ITGAV (0.62) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL30850808 0.87 ITGAV (0.64) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20141952 0.87 ITGAV (0.64) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20141955 0.87 ITGAV (0.64) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21294646 0.87 ITGAV (0.64) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21294592 0.85 ITGAV (0.70) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20153370 0.84 ITGAV (0.69) ITGAVITGB3ITGB1ITGA5ITGB6

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-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US claimed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 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 (2 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-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 ITGAV 1/4885ITGB3 2/4885ITGB1 3/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ITGAV 3/4885ITGB3 1/4885ITGB1 2/4885

“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.