SCHEMBL6798729

SCHEMBL6798729

O=C(O)CC(c1cc(F)cc(F)c1)c1cccc(NS(=O)(=O)c2cccc(NC3=NCCN3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.44
ITGAV P06756 12/20 0.44
ITGA2B P08514 5/20 0.44
ITGB1 P05556 3/20 0.40
ITGB5 P18084 3/20 0.40
EEF2K O00418 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGB6 P18564 1/20 0.38
ITGB8 P26012 1/20 0.38
ITGA8 P53708 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL7856513 0.95 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7785708 0.83 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7856528 0.77 MEN1 (0.43) ITGB3ITGAVEEF2KMAPT
SCHEMBL7861775 0.77 EEF2K (0.43) ITGB3ITGAVEEF2KMAPT
SCHEMBL7861960 0.75 THRB (0.41) ITGB3ITGAVEEF2KMAPT
SCHEMBL7861962 0.75 THRB (0.41) ITGB3ITGAVEEF2KMAPT
SCHEMBL7863252 0.74 ITGB3 (0.58) ITGB3ITGAVEEF2KMAPT
SCHEMBL7863160 0.74 EEF2K (0.41) ITGB3ITGAVEEF2KMAPT
SCHEMBL7863156 0.74 EEF2K (0.41) ITGB3ITGAVEEF2KMAPT
SCHEMBL6809549 0.73 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5

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 20 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-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-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-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-1140177-A2 USE OF AN INTEGRIN ANTAGONIST AND RADIATION 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-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-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP 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
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-2000038715-A2 USE OF AN INTEGRIN ANTAGONIST AND RADIATION 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 11/4885ITGA2B 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.