SCHEMBL6809156

SCHEMBL6809156

CCOC(=O)CC(C)(C)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
ITGB1 P05556 6/20 0.44
ITGB5 P18084 4/20 0.44
ITGB6 P18564 2/20 0.44
MDM4 O15151 1/20 0.43
MDM2 Q00987 1/20 0.43
ITGA5 P08648 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ITGA2B P08514 4/20 0.41

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
SCHEMBL6804884 0.89 ITGB3 (0.51) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6809449 0.88 ITGB3 (0.44) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6804856 0.87 ITGB3 (0.42) ITGB3ITGAVITGB1ITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6809448 0.86 ITGB3 (0.50) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6802895 0.85 ITGB3 (0.40) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6799591 0.85 ITGB3 (0.44) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6809710 0.80 ITGB3 (0.38) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6810050 0.79 SMN1; SMN2 (0.43) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6800561 0.78 SMN1; SMN2 (0.40) L3MBTL1
SCHEMBL6800874 0.78 ITGB3 (0.56) ITGB3ITGAVITGB1ITGB5ITGB6

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 2/4885ITGB1 6/4885

“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.