SCHEMBL20140402

SCHEMBL20140402

CCOC(=O)CC(c1ccc(OC)nc1)c1nc(Br)cs1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.41
ITGB3 P05106 11/20 0.37
ITGAV P06756 11/20 0.37
ITGB6 P18564 1/20 0.37
OXTR P30559 1/20 0.36
FFAR1 O14842 1/20 0.35
FGFR2 P21802 3/20 0.35
FGFR3 P22607 2/20 0.35
FGFR1 P11362 1/20 0.35
FGFR4 P22455 1/20 0.35
KDR P35968 1/20 0.35
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 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 0.84 CTSA (0.40) CTSAITGB3ITGAVOXTRFFAR1
SCHEMBL20153474 0.84 CTSA (0.58) CTSA
SCHEMBL21311529 0.82 ITGB3 (0.41) CTSAITGB3ITGAVITGB6OXTR
SCHEMBL21311531 0.81 GRM5 (0.38) CTSAITGB3ITGAVITGB6OXTR
SCHEMBL20139522 0.81 CTSA (0.40) CTSAITGB3ITGAVITGB6FFAR1
SCHEMBL29797429 0.81 CTSA (0.40) CTSAITGB3ITGAVITGB6FFAR1
SCHEMBL23559272 0.78 ITGB3 (0.42) CTSAITGB3ITGAVITGB6
SCHEMBL21311532 0.78 ITGB3 (0.44) CTSAITGB3ITGAVITGB6
SCHEMBL20139591 0.77 FGFR2 (0.36) CTSAITGB3ITGAVITGB6OXTR
SCHEMBL21311525 0.76 OXTR (0.38) CTSAITGB3ITGAVOXTRFFAR1

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 CTSA 1552/4885ITGB3 2/4885ITGAV 1/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV CTSA 1674/4885ITGB3 1/4885ITGAV 3/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 CTSA 1485/4885ITGB3 2/4885ITGAV 1/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV CTSA 1672/4885ITGB3 1/4885ITGAV 3/4885

“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.