SCHEMBL20139652

SCHEMBL20139652

COc1ccc(C(CC(=O)O)c2nc(C=CCCc3ccc4cccnc4n3)cn2C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGAV P06756 4/20 0.38
ITGA2B P08514 1/20 0.37
ITGB6 P18564 1/20 0.37
FFAR1 O14842 4/20 0.35
CTSA P10619 7/20 0.35
SUCNR1 Q9BXA5 5/20 0.34
BDKRB1 P46663 1/20 0.34
OXGR1 Q96P68 1/20 0.33

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
SCHEMBL20139651 1.00 ITGB3 (0.38) ITGB3ITGAVITGA2BITGB6FFAR1
SCHEMBL20153409 0.94 ITGB3 (0.35) ITGB3ITGAVITGA2BITGB6SUCNR1
SCHEMBL20141912 0.82 CTSA (0.38) ITGB3ITGAVITGA2BITGB6CTSA
SCHEMBL21294620 0.82 CTSA (0.38) ITGB3ITGAVITGA2BITGB6CTSA
SCHEMBL20153348 0.77 ITGB3 (0.34) ITGB3ITGAVITGA2BITGB6CTSA
SCHEMBL23404853 0.76 ITGAV (0.48) ITGB3ITGAVITGA2BITGB6
SCHEMBL23404854 0.76 ITGAV (0.48) ITGB3ITGAVITGA2BITGB6
SCHEMBL20140217 0.74 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB6CTSA
SCHEMBL20140734 0.73 ITGB3 (0.38) ITGB3ITGAVITGA2BITGB6FFAR1
SCHEMBL20140737 0.73 ITGB3 (0.38) ITGB3ITGAVITGA2BITGB6FFAR1

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 8 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
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN 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 ITGB3 2/4885ITGAV 1/4885ITGA2B 10/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ITGB3 1/4885ITGAV 3/4885ITGA2B 11/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 ITGB3 2/4885ITGAV 1/4885ITGA2B 10/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ITGB3 1/4885ITGAV 3/4885ITGA2B 10/4885

“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.