SCHEMBL20140288

SCHEMBL20140288

COc1ccc(C(CC(=O)O)c2cc(C=O)n(COCC[Si](C)(C)C)n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
CTSA P10619 13/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ROCK2 O75116 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 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
SCHEMBL29860383 0.90 FFAR1 (0.33) FFAR1ITGB3ITGAVROCK2
SCHEMBL20140781 0.86 FFAR1 (0.41) FFAR1CTSA
SCHEMBL20140171 0.84 FFAR1 (0.34) FFAR1CTSAITGB3ITGAVLMNA
SCHEMBL20140079 0.84 FFAR1 (0.34) FFAR1CTSAITGB3ITGAVLMNA
SCHEMBL20141586 0.82 FFAR1 (0.37) FFAR1CTSAITGB3ITGAV
SCHEMBL20140522 0.78 FFAR1 (0.35) FFAR1CTSAITGB3ITGAVLMNA
SCHEMBL21311561 0.78 FFAR1 (0.34) FFAR1CTSAITGB3ITGAVROCK2
SCHEMBL29797568 0.77 FFAR1 (0.34) FFAR1CTSAITGB3ITGAVROCK2
SCHEMBL20141540 0.77 FFAR1 (0.34) FFAR1CTSAITGB3ITGAVROCK2
SCHEMBL29860501 0.76 ITGB3 (0.31) ITGB3ITGAV

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
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
EP-3538525-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP 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 FFAR1 247/4885CTSA 1552/4885ITGB3 2/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV FFAR1 272/4885CTSA 1674/4885ITGB3 1/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 FFAR1 235/4885CTSA 1485/4885ITGB3 2/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV FFAR1 307/4885CTSA 1672/4885ITGB3 1/4885

“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.