SCHEMBL21294598

SCHEMBL21294598

O=C(O)C[C@@H](c1ccc2nccnc2c1)c1nc(CCCCc2ccc3c(n2)NCCC3)cs1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.54
ITGB3 P05106 18/20 0.54
ITGB6 P18564 13/20 0.54
ITGA2B P08514 7/20 0.54
ITGB8 P26012 6/20 0.53
ITGB5 P18084 4/20 0.53

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
SCHEMBL21294617 1.00 ITGAV (0.54) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL20153322 1.00 ITGAV (0.54) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL30850967 1.00 ITGAV (0.54) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL29797112 1.00 ITGAV (0.54) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL29797071 1.00 ITGAV (0.54) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL24521941 0.89 ITGAV (0.46) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL24521920 0.86 ITGB3 (0.57) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL21294633 0.85 ITGB3 (0.68) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL21294619 0.85 ITGB3 (0.68) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL20153377 0.85 ITGB3 (0.68) ITGAVITGB3ITGB6ITGA2BITGB8

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 4 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
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN 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 ITGAV 1/4885ITGB3 2/4885ITGB6 15/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ITGAV 3/4885ITGB3 1/4885ITGB6 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.