SCHEMBL20153413

SCHEMBL20153413

CCOC(=O)CC(c1ccc(OC)nc1)c1ncc(/C=C/CCc2ccc3cccnc3n2)n1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.35
ITGAV P06756 16/20 0.35
ITGB6 P18564 4/20 0.35
ITGB1 P05556 2/20 0.34
ITGA5 P08648 2/20 0.34
ITGA2B P08514 3/20 0.34
ITGB8 P26012 1/20 0.34
ITGB5 P18084 1/20 0.32
LMNA P02545 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SUCNR1 Q9BXA5 2/20 0.31
OXGR1 Q96P68 1/20 0.31

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
SCHEMBL20140737 0.93 ITGB3 (0.38) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL20140734 0.93 ITGB3 (0.38) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL20153475 0.84 ITGB3 (0.36) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL21311741 0.84 ITGB3 (0.37) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL23559272 0.77 ITGB3 (0.42) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL21311532 0.77 ITGB3 (0.44) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL21311521 0.75 ITGB3 (0.38) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL20153482 0.74 ITGB3 (0.40) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL20153409 0.74 ITGB3 (0.35) ITGB3ITGAVITGB6ITGA2BPPARG
SCHEMBL20140487 0.73 ITGB3 (0.39) ITGB3ITGAVITGB6ITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO 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 (4 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-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ITGB3 1/4885ITGAV 3/4885ITGB6 14/4885
US-20210188847-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.