SCHEMBL21294590

SCHEMBL21294590

COc1ccc(C(CC(=O)O)c2nc(CCC[C@@H]3CCc4cccnc4N3)cs2)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.47
ITGAV P06756 19/20 0.47
ITGB6 P18564 4/20 0.47
ITGA2B P08514 3/20 0.41
ITGB5 P18084 1/20 0.41
ITGB1 P05556 2/20 0.41
ITGA5 P08648 2/20 0.41
ITGB8 P26012 1/20 0.40
CTSA P10619 1/20 0.38

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
SCHEMBL29797060 1.00 ITGB3 (0.47) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL21294608 1.00 ITGB3 (0.47) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL21294589 1.00 ITGB3 (0.47) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL20139505 1.00 ITGB3 (0.47) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL20139506 1.00 ITGB3 (0.47) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL20140148 0.86 ITGB3 (0.47) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL20140505 0.81 ITGAV (0.48) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL20140792 0.79 ITGAV (0.36) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL21294610 0.78 ITGAV (0.72) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL20140510 0.78 ITGAV (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP claimed
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 ITGB3 2/4885ITGAV 1/4885ITGB6 15/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ITGB3 1/4885ITGAV 3/4885ITGB6 13/4885

“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.