SCHEMBL4021864

SCHEMBL4021864

O=C(O)c1ccc2c(c1)CN(CCc1ccccc1)C(=O)[C@@H](CO)N2

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.62
ITGA2B P08514 16/20 0.62
ITGAV P06756 6/20 0.59

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
SCHEMBL6674674 0.91 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL7079853 0.91 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL6674672 0.91 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL4023631 0.89 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL6677549 0.83 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6677554 0.83 ITGB3 (0.70) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL6951743 0.82 ITGB3 (0.69) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL6951741 0.82 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL8468646 0.81 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL8468639 0.81 ITGB3 (0.68) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623126-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP claimed
EP-1171428-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-06-17 EP disclosed
EP-1171428-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-09-15 EP disclosed
US-6765005-B2 BACTERICIDES; ENZYME INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-20 US disclosed
US-20030139377-A1 Fab I inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-24 US disclosed
US-6503903-B1 Administering 3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carboxamide derivative SMITHKLINE BEECHAM CORPORATION 2003-01-07 US disclosed
EP-1171428-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-01-16 EP disclosed
WO-2000063187-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-26 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-20030139377-A1 Fab I inhibitors SERPINB1, TFPI, TFPI2 ITGB3 1680/4885ITGA2B 1135/4885ITGAV 1554/4885

“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.