SCHEMBL6809449

SCHEMBL6809449

CC(C)(CC(=O)OC(=O)C(F)(F)F)Cc1ccc(OCCCNc2ccccn2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.44
ITGAV P06756 17/20 0.44
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
ITGB5 P18084 4/20 0.43
ITGB1 P05556 6/20 0.42
ITGB6 P18564 2/20 0.42
ITGA5 P08648 2/20 0.41
ITGA2B P08514 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6809156 0.88 ITGB3 (0.44) ITGB3ITGAVMDM4MDM2ITGB5
Trifluoroacetic Acid SCHEMBL6809448 0.88 ITGB3 (0.50) ITGB3ITGAVMDM4MDM2ITGB5
SCHEMBL6806429 0.87 ITGB3 (0.42) ITGB3ITGAVMDM4MDM2ITGB5
SCHEMBL7018419 0.87 ITGB3 (0.42) ITGB3ITGAVMDM4MDM2ITGB5
SCHEMBL6804884 0.87 ITGB3 (0.51) ITGB3ITGAVMDM4MDM2ITGB5
SCHEMBL6804900 0.85 MDM4 (0.44) ITGB3ITGAVMDM4MDM2ITGB5
Water SCHEMBL6800323 0.82 ITGB3 (0.42) ITGB3ITGAVMDM4MDM2ITGB5
SCHEMBL6804856 0.75 ITGB3 (0.42) ITGB3ITGAVMDM4MDM2ITGB5
Trifluoroacetic Acid SCHEMBL6802228 0.75 ITGB3 (0.48) ITGB3ITGAVMDM4MDM2ITGB5
Trifluoroacetic Acid SCHEMBL6806426 0.75 ITGB3 (0.48) ITGB3ITGAVMDM4MDM2ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043994-A1 Gem-substituted alpha v beta 3 antagonists PHARMACIA CORPORATION 2004-03-04 US disclosed
EP-1313705-A1 GEM-SUBSTITUTED ALPHA V BETA 3 INTEGRIN ANTAGONISTS Pharmacia Corporation (US) 2003-05-28 EP disclosed
US-6531494-B1 Gem-substituted αvβ3 antagonists PHARMACIA CORPORATION 2003-03-11 US disclosed
WO-2002018340-A1 GEM-SUBSTITUTED α v β 3 INTEGRIN ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 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 (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-20040043994-A1 Gem-substituted alpha v beta 3 antagonists CACNG5, ITGAV, ITGA5 ITGB3 4/4885ITGAV 2/4885MDM4 4582/4885

“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.