SCHEMBL20139591

SCHEMBL20139591

CCOC(=O)CC(c1ccc(OC)nc1)c1ncc(Br)n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 3/20 0.36
FGFR3 P22607 2/20 0.36
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36
KDR P35968 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
OXTR P30559 1/20 0.36
FFAR1 O14842 1/20 0.35
ITGB3 P05106 8/20 0.35
ITGAV P06756 8/20 0.35
ITGB6 P18564 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
ITGB1 P05556 2/20 0.34
ITGA5 P08648 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 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
SCHEMBL20153484 0.77 CTSA (0.40) OXTRFFAR1ITGB3ITGAVCTSA
SCHEMBL20140402 0.77 CTSA (0.41) FGFR2FGFR3FGFR1FGFR4KDR
SCHEMBL21311525 0.76 OXTR (0.38) FGFR2FGFR3FGFR1FGFR4KDR
SCHEMBL20153474 0.75 CTSA (0.58) CTSA
SCHEMBL6106081 0.74 NNMT (0.43) OXTRFFAR1KDM4EALDH1A1HTT
SCHEMBL20153392 0.74 NNMT (0.43) OXTRFFAR1KDM4EALDH1A1HTT
SCHEMBL20139777 0.74 ITGAV (0.62) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL20153326 0.73 KDM4E (0.40) FGFR2FGFR3JMJD6OXTRFFAR1
SCHEMBL6108573 0.72 KCNK3 (0.42) OXTRFFAR1KDM4EALDH1A1ITGB1
SCHEMBL6108575 0.72 KCNK3 (0.42) OXTRFFAR1KDM4EALDH1A1ITGB1

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.