SCHEMBL6809549

SCHEMBL6809549

O=C(O)CC(c1cc(F)cc(F)c1)c1cccc(CNC(=O)c2cccc(NC3=NCCCN3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.51
ITGAV P06756 19/20 0.51
ITGB6 P18564 6/20 0.51
ITGA2B P08514 12/20 0.47
ITGB1 P05556 9/20 0.47
ITGB5 P18084 9/20 0.47
ITGA5 P08648 1/20 0.44
ITGB8 P26012 1/20 0.44
ITGA8 P53708 1/20 0.44
WDR5 P61964 1/20 0.43

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
SCHEMBL7919632 0.92 ITGB3 (0.49) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7919635 0.85 ITGB3 (0.49) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7856513 0.79 ITGB3 (0.45) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7498375 0.77 ITGB3 (0.71) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7498381 0.77 ITGB3 (0.71) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7864274 0.77 LMNA (0.43) ITGB3ITGA2B
SCHEMBL7864322 0.76 AURKA (0.41) ITGB3ITGAVITGB1ITGA5
SCHEMBL6798729 0.73 ITGB3 (0.44) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL13109233 0.73 ITGB3 (0.67) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL6776399 0.73 ITGB3 (0.75) ITGB3ITGAVITGB6ITGB1ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689787-B1 POTENTIATING TUMOR RESPONSE G. D. SEARLE & CO. 2004-02-10 US claimed
EP-1140177-A2 USE OF AN INTEGRIN ANTAGONIST AND RADIATION IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
EP-1140193-A2 USE OF AN INTEGRIN ANTAGONIST AND ONE OR MORE ANTINEOPLASTIC AGENTS AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
EP-1140183-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
EP-1140179-A2 USE OF A CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed
WO-2000038719-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000038665-A2 USE OF AN INTEGRIN ANTAGONIST AND ONE OR MORE ANTINEOPLASTIC AGENTS AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000038715-A2 USE OF AN INTEGRIN ANTAGONIST AND RADIATION IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000038786-A2 USE OF CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
US-6833373-B1 N-(3-hydroxy-5-((1,4,5,6-tetrahydro-5-hydroxy-2-pyrimidinyl) -amino)-benzoyl)glycyl-3-(3-bromo-5-chloro-2-hydroxyphenyl)-b-alanine and tamoxifen; breast cancer G.D. SEARLE & CO. 2004-12-21 US disclosed
US-20040234624-A1 Method of using an integrin antagonist and one or more antineoplastic agents as a combination therapy in the treatment of neoplasia MCKEARN JOHN P (US) 2004-11-25 US disclosed
US-6689787-B1 POTENTIATING TUMOR RESPONSE G. D. SEARLE & CO. 2004-02-10 US disclosed
EP-1140183-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
EP-1140193-A2 USE OF AN INTEGRIN ANTAGONIST AND ONE OR MORE ANTINEOPLASTIC AGENTS AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP disclosed
WO-2000038719-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038665-A2 USE OF AN INTEGRIN ANTAGONIST AND ONE OR MORE ANTINEOPLASTIC AGENTS AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 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-20040234624-A1 Method of using an integrin antagonist and one or more antineoplastic agents as a combination therapy in the treatment of neoplasia ITGA2, ITGB5, ITGB2 ITGB3 9/4885ITGAV 11/4885ITGB6 15/4885

“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.