SCHEMBL20140712

SCHEMBL20140712

COc1ccc(C(CC(=O)O)c2nc(C=CCC3(C)OCCO3)co2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSA P10619 18/20 0.38
FFAR1 O14842 1/20 0.36
MAPK1 P28482 1/20 0.35
RPS6KA1 Q15418 1/20 0.35

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
SCHEMBL20140707 1.00 CTSA (0.38) CTSAFFAR1MAPK1RPS6KA1
SCHEMBL28940523 0.90 CTSA (0.33) CTSAFFAR1MAPK1RPS6KA1
SCHEMBL20153401 0.90 CTSA (0.33) CTSAFFAR1MAPK1RPS6KA1
SCHEMBL29860536 0.90 CTSA (0.33) CTSAFFAR1MAPK1RPS6KA1
SCHEMBL20140333 0.82 FFAR1 (0.43) CTSAFFAR1
SCHEMBL20140079 0.76 FFAR1 (0.34) CTSAFFAR1MAPK1RPS6KA1
SCHEMBL20140171 0.76 FFAR1 (0.34) CTSAFFAR1MAPK1RPS6KA1
SCHEMBL20140113 0.72 ITGB3 (0.39) CTSAFFAR1MAPK1RPS6KA1
SCHEMBL29797168 0.72 ITGB3 (0.39) CTSAFFAR1MAPK1RPS6KA1
SCHEMBL20139523 0.71 CTSA (0.36) CTSAFFAR1MAPK1

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 CTSA 1552/4885FFAR1 247/4885MAPK1 1357/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV CTSA 1674/4885FFAR1 272/4885MAPK1 1185/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 CTSA 1485/4885FFAR1 235/4885MAPK1 1313/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV CTSA 1672/4885FFAR1 307/4885MAPK1 1194/4885

“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.