SCHEMBL20153404

SCHEMBL20153404

Cc1ncc(C(CC(=O)OC(C)(C)C)n2nccc2CCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCCC3)cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 18/20 0.38
ITGB3 P05106 14/20 0.38
ITGA2B P08514 5/20 0.34
ITGB5 P18084 2/20 0.34
ITGB1 P05556 2/20 0.33
ITGA5 P08648 2/20 0.33
ITGB6 P18564 7/20 0.33
ITGB8 P26012 3/20 0.33
FGFR4 P22455 1/20 0.31

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
SCHEMBL20153346 0.87 ITGAV (0.38) ITGAVITGB3ITGA2BITGB5ITGB1
SCHEMBL20153410 0.85 ITGAV (0.52) ITGAVITGB3ITGA2BITGB5ITGB1
SCHEMBL20153405 0.75 ITGAV (0.62) ITGAVITGB3ITGA2BITGB5ITGB1
SCHEMBL20153411 0.73 MPO (0.37) ITGAVITGB6FGFR4
SCHEMBL29860313 0.73 MPO (0.37) ITGAVITGB6FGFR4
SCHEMBL12807163 0.73 MPO (0.38) ITGAVITGB3ITGB6FGFR4
SCHEMBL29860487 0.72 ITGAV (0.56) ITGAVITGB3ITGA2BITGB5ITGB1
SCHEMBL21294599 0.72 MPO (0.40) ITGAVITGB3ITGA2BITGB6FGFR4
SCHEMBL24908851 0.71 MPO (0.39) ITGAVITGB6FGFR4
SCHEMBL19953719 0.71 MPO (0.39) ITGAVITGB6FGFR4

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
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US 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
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US 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 ITGAV 1/4885ITGB3 2/4885ITGA2B 10/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ITGAV 3/4885ITGB3 1/4885ITGA2B 11/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 ITGAV 1/4885ITGB3 2/4885ITGA2B 10/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ITGAV 3/4885ITGB3 1/4885ITGA2B 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.