SCHEMBL20139722

SCHEMBL20139722

CCOC(=O)CC(c1ccc(OC)c(F)c1)c1nc(Br)cn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 3/20 0.38
FGFR3 P22607 2/20 0.38
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38
KDR P35968 1/20 0.38
FFAR1 O14842 1/20 0.37
TNF P01375 2/20 0.36
MAPK1 P28482 4/20 0.36
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PDE2A O00408 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
ITGA2B P08514 1/20 0.35
ITGB6 P18564 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
XDH P47989 1/20 0.34

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
SCHEMBL29797198 1.00 FGFR2 (0.38) FGFR2FGFR3FGFR1FGFR4KDR
SCHEMBL29797429 0.79 CTSA (0.40) FFAR1MAPK1RAB9ALMNAHTT
SCHEMBL20139522 0.79 CTSA (0.40) FFAR1MAPK1RAB9ALMNAHTT
SCHEMBL20139502 0.77 CTSA (0.41) FFAR1MAPK1RAB9ALMNAHTT
SCHEMBL29797153 0.77 CTSA (0.41) FFAR1MAPK1RAB9ALMNAHTT
SCHEMBL20153409 0.76 ITGB3 (0.35) MAPK1ITGB3ITGAVITGA2BITGB6
SCHEMBL29797151 0.76 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB6
SCHEMBL20140529 0.76 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB6
SCHEMBL20380272 0.75 FFAR1 (0.44) FFAR1MAPK1RAB9ALMNAHTT
SCHEMBL20379855 0.73 FFAR1 (0.49) FFAR1MAPK1RAB9ALMNAHTT

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 10 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
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
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 FGFR2 1322/4885FGFR3 605/4885FGFR1 1545/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV FGFR2 420/4885FGFR3 191/4885FGFR1 655/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 FGFR2 742/4885FGFR3 382/4885FGFR1 1046/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV FGFR2 857/4885FGFR3 314/4885FGFR1 1072/4885

“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.