SCHEMBL29797166

SCHEMBL29797166

CCOC(=O)CC(c1ccc(OC)c(F)c1)c1csc(CCCc2ccc3cccnc3n2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.48
ITGAV P06756 8/20 0.48
ITGB6 P18564 6/20 0.48
ITGA2B P08514 5/20 0.48
SUCNR1 Q9BXA5 11/20 0.38
OXGR1 Q96P68 1/20 0.37
BDKRB1 P46663 1/20 0.36
PDE4D Q08499 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
SCHEMBL20141331 1.00 ITGB3 (0.48) ITGB3ITGAVITGB6ITGA2BSUCNR1
SCHEMBL29797272 0.86 ITGB3 (0.47) ITGB3ITGAVITGB6ITGA2BPDE4D
SCHEMBL20139498 0.86 ITGB3 (0.47) ITGB3ITGAVITGB6ITGA2BPDE4D
SCHEMBL20139800 0.82 ITGB3 (0.44) ITGB3ITGAVITGB6ITGA2B
SCHEMBL29797221 0.82 ITGB3 (0.44) ITGB3ITGAVITGB6ITGA2B
SCHEMBL20140268 0.82 ITGB3 (0.73) ITGB3ITGAVITGB6ITGA2B
SCHEMBL29797431 0.82 ITGB3 (0.73) ITGB3ITGAVITGB6ITGA2B
SCHEMBL21311604 0.80 SUCNR1 (0.38) ITGB3ITGAVITGB6ITGA2BSUCNR1
SCHEMBL20153348 0.76 ITGB3 (0.34) ITGB3ITGAVITGB6ITGA2BSUCNR1
SCHEMBL20140217 0.76 ITGB3 (0.41) ITGB3ITGAVITGB6ITGA2BSUCNR1

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ITGB3 1/4885ITGAV 3/4885ITGB6 14/4885

“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.