SCHEMBL20153487

SCHEMBL20153487

CCOC(=O)CC(c1ccc(OC)nc1)c1ncc(CCCC(C)O)s1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.37
ITGAV P06756 11/20 0.37
CTSA P10619 6/20 0.35
ITGB6 P18564 1/20 0.34
OXTR P30559 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ITGA2B P08514 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL21311667 0.88 ITGB3 (0.37) ITGB3ITGAVCTSAITGB6OXTR
SCHEMBL21311529 0.84 ITGB3 (0.41) ITGB3ITGAVCTSAITGB6OXTR
SCHEMBL20153482 0.81 ITGB3 (0.40) ITGB3ITGAVCTSAITGB6ITGA2B
SCHEMBL20153484 0.80 CTSA (0.40) ITGB3ITGAVCTSAOXTR
SCHEMBL20153486 0.79 CTSA (0.35) ITGB3ITGAVCTSAITGB6OXTR
SCHEMBL20153485 0.78 ITGAV (0.63) ITGB3ITGAVITGB6ITGA2B
SCHEMBL20153476 0.78 ITGAV (0.65) ITGB3ITGAVITGB6ITGA2B
SCHEMBL20153474 0.76 CTSA (0.58) CTSA
SCHEMBL21311585 0.74 OXTR (0.36) ITGB3ITGAVITGB6OXTRITGA2B
SCHEMBL20140402 0.73 CTSA (0.41) ITGB3ITGAVCTSAITGB6OXTR

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 5 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 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 (3 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 1/4885CTSA 1552/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 ITGB3 2/4885ITGAV 1/4885CTSA 1485/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ITGB3 1/4885ITGAV 3/4885CTSA 1672/4885

“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.