SCHEMBL20153717

SCHEMBL20153717

COc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3c(/C=C/c4ccc5c(n4)N(C(=O)OC(C)(C)C)CCC5)cccc32)cn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 15/20 0.36
ITGB3 P05106 5/20 0.33
ITGAV P06756 5/20 0.33
ITGB1 P05556 2/20 0.33
ITGA5 P08648 2/20 0.33
ITGB6 P18564 2/20 0.33
ITGA2B P08514 1/20 0.33
ITGB8 P26012 1/20 0.33

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
SCHEMBL20153715 0.85 ITGAV (0.39) FGFR4ITGB3ITGAVITGB1ITGA5
SCHEMBL20153716 0.74 ALDH1A1 (0.33) ITGB3ITGAV
SCHEMBL5820298 0.70 BRD4 (0.40) FGFR4
SCHEMBL5820300 0.70 BRD4 (0.40) FGFR4
SCHEMBL20153777 0.68 ITGB3 (0.40) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL21282941 0.68 ITGB3 (0.40) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL30918953 0.67 FGFR4 (0.54) FGFR4
SCHEMBL29702194 0.67 ITGB3 (0.40) FGFR4ITGB3ITGAVITGB1ITGA5
SCHEMBL20158343 0.67 ITGB3 (0.40) FGFR4ITGB3ITGAVITGB1ITGA5
SCHEMBL5823793 0.67 FGFR4 (0.35) FGFR4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 FGFR4 806/4885ITGB3 3/4885ITGAV 1/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 FGFR4 806/4885ITGB3 3/4885ITGAV 1/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV FGFR4 809/4885ITGB3 1/4885ITGAV 3/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 FGFR4 806/4885ITGB3 3/4885ITGAV 1/4885

“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.