SCHEMBL6809884

SCHEMBL6809884

CC(C)(CC(=O)O)Cc1ccc(OCCc2cccc(NC(=O)OC(C)(C)C)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.48
ITGAV P06756 18/20 0.48
ITGB6 P18564 1/20 0.46
ITGB1 P05556 16/20 0.44
ITGA5 P08648 16/20 0.44
ITGB5 P18084 3/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 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
SCHEMBL6800425 0.91 ITGB3 (0.43) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6499724 0.85 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6797563 0.82 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6805951 0.81 ITGB1 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6487610 0.79 MAPT (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7380720 0.74 GLS (0.41) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6500770 0.74 ITGB3 (0.41) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6834527 0.74 ITGB3 (0.50) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL16607388 0.74 NR3C2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3427899 0.74 PDE5A (0.50) CHRNB2CHRNB4CHRNA3CHRNA4

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 2/4885ITGB6 34/4885

“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.