SCHEMBL6809710

SCHEMBL6809710

CCOC(=O)CC(C)(C)Cc1cc(F)c(OCCCNc2ccccn2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.38
ITGAV P06756 13/20 0.38
ITGB1 P05556 7/20 0.38
ITGB5 P18084 3/20 0.38
ITGB6 P18564 3/20 0.38
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
ITGA5 P08648 3/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
PTK2 Q05397 1/20 0.34
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL6804104 0.90 ITGB3 (0.44) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6805252 0.85 ITGB3 (0.42) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6804024 0.81 THRB (0.38) MEN1KMT2A
SCHEMBL6809156 0.80 ITGB3 (0.44) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6810050 0.78 SMN1; SMN2 (0.43) ITGB3ITGAVITGB1ITGB5ITGB6
Water SCHEMBL6800323 0.75 ITGB3 (0.42) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6803953 0.74 ITGB3 (0.48) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6698898 0.74 ITGB3 (0.48) ITGB3ITGAVITGB1ITGB5ITGB6
T-Butylacetic Acid SCHEMBL6704509 0.73 ITGB3 (0.45) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6804856 0.73 ITGB3 (0.42) 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.