SCHEMBL6804514

SCHEMBL6804514

CC(C)(CC(=O)O)Cc1ccc(OCCCNc2ccccn2)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.48
ITGAV P06756 16/20 0.48
ITGB1 P05556 7/20 0.48
ITGB5 P18084 4/20 0.48
ITGB6 P18564 3/20 0.48
MDM4 O15151 1/20 0.45
MDM2 Q00987 1/20 0.45
ITGA5 P08648 2/20 0.43
ITGA2B P08514 4/20 0.42
PTPN1 P18031 2/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL6803953 0.90 ITGB3 (0.48) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6698898 0.89 ITGB3 (0.48) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6705020 0.89 ITGB1 (0.48) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6702139 0.89 ITGB3 (0.48) ITGB3ITGAVITGB1ITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6800318 0.86 ITGB3 (0.47) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6804509 0.86 ITGB3 (0.46) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6805351 0.86 ITGB3 (0.46) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6803719 0.84 ITGB3 (0.64) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6804104 0.79 ITGB3 (0.44) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6810050 0.78 SMN1; SMN2 (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313705-A1 GEM-SUBSTITUTED ALPHA V BETA 3 INTEGRIN ANTAGONISTS Pharmacia Corporation (US) 2003-05-28 EP claimed
US-6531494-B1 Gem-substituted αvβ3 antagonists PHARMACIA CORPORATION 2003-03-11 US claimed
WO-2002018340-A1 GEM-SUBSTITUTED α v β 3 INTEGRIN ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 WO claimed
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.