SCHEMBL6788739

SCHEMBL6788739

COC(=O)CC1Cc2ccc(OCCCN(C(=O)OC(C)(C)C)c3cccc[n+]3[O-])cc2CN(Cc2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.40
ITGAV P06756 5/20 0.40
ITGA2B P08514 5/20 0.40
RORC P51449 4/20 0.32
OPRL1 P41146 1/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
TACR1 P25103 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL6421285 0.94 ITGB3 (0.45) ITGB3ITGAVITGA2BPPARDPPARA
SCHEMBL6421900 0.94 ITGB3 (0.45) ITGB3ITGAVITGA2BPPARDPPARA
SCHEMBL6419328 0.93 ITGB3 (0.38) ITGB3ITGAVITGA2BPDE4APDE4B
SCHEMBL6419321 0.92 ITGB3 (0.38) ITGB3ITGAVITGA2BRORCOPRL1
SCHEMBL6419041 0.91 ITGB3 (0.37) ITGB3ITGAVITGA2B
SCHEMBL6418120 0.91 ITGB3 (0.43) ITGB3ITGAVITGA2BRORCOPRL1
SCHEMBL6419279 0.88 ITGB3 (0.45) ITGB3ITGAVITGA2BPPARDPPARA
SCHEMBL7398477 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2BPPARDPPARA
SCHEMBL6424968 0.86 ITGB3 (0.45) ITGB3ITGAVITGA2BPPARDPPARA
SCHEMBL6418659 0.85 ITGB3 (0.43) ITGB3ITGAVITGA2BRORCPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US 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-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGAV 302/4885ITGA2B 191/4885

“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.