SCHEMBL3534841

SCHEMBL3534841

O=C(O)CC(NC(=O)C1CCN(C(=O)CCONC2=NCCN2)CC1)c1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.60
ITGAV P06756 16/20 0.60
ITGA2B P08514 12/20 0.60
F2R P25116 1/20 0.56
ITGB5 P18084 2/20 0.53
ITGB6 P18564 1/20 0.44

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
SCHEMBL13344593 0.87 ITGB3 (0.71) ITGB3ITGAVITGA2BF2RITGB5
SCHEMBL13344602 0.84 ITGB3 (0.54) ITGB3ITGAVITGA2BF2RITGB5
SCHEMBL13344596 0.77 ITGB3 (0.68) ITGB3ITGAVITGA2BF2RITGB5
SCHEMBL3536444 0.75 ITGB3 (0.71) ITGB3ITGAVITGA2BF2RITGB5
SCHEMBL13344614 0.74 ITGB3 (0.74) ITGB3ITGAVITGA2BF2RITGB5
SCHEMBL13369166 0.74 ITGB3 (0.73) ITGB3ITGAVITGA2BF2RITGB5
SCHEMBL13344588 0.74 ITGB3 (0.59) ITGB3ITGAVITGA2BF2RITGB5
SCHEMBL13344609 0.74 ITGB3 (0.82) ITGB3ITGAVITGA2BF2RITGB5
SCHEMBL3534850 0.73 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB5
SCHEMBL13344594 0.72 ITGB3 (0.78) ITGB3ITGAVITGA2BF2RITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718673-B2 Isonipecotamides for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-05-18 US claimed
EP-1133489-B9 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2006-05-03 EP claimed
EP-1133489-B1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-07-27 EP claimed
EP-1533310-A1 Isonipecotamides for the treatment of integrin-mediated disorders Ortho-McNeil Pharmaceutical, Inc. (US) 2005-05-25 EP claimed
US-20030181440-A1 Isonipecotamides for the treatment of integrin-mediated disorders COSTANZO MICHAEL J (US) 2003-09-25 US claimed
US-7718673-B2 Isonipecotamides for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-05-18 US disclosed
US-7718673-B2 Isonipecotamides for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-05-18 US disclosed
EP-1133489-B9 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2006-05-03 EP disclosed
EP-1133489-B1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-07-27 EP 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-20030181440-A1 Isonipecotamides for the treatment of integrin-mediated disorders ITGB2, ITGA1, ITGB1 ITGB3 9/4885ITGAV 7/4885ITGA2B 4/4885

“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.