SCHEMBL6178258

SCHEMBL6178258

CC(C)(C)OC(=O)NCCNc1cccc[n+]1[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.51
BCHE P06276 1/20 0.49
BRD4 O60885 1/20 0.43
IDO1 P14902 1/20 0.43
DRD2 P14416 5/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4A O75164 1/20 0.39
LATS1 O95835 1/20 0.39

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
SCHEMBL6969037 0.92 TDP1 (0.47) MALT1BCHEBRD4DRD2CA12
SCHEMBL6962221 0.92 STK17B (0.47) MALT1BCHEBRD4DRD2CA12
Iodide SCHEMBL31079972 0.84 MALT1 (0.51) MALT1BCHEBRD4IDO1DRD2
SCHEMBL823328 0.80 LMNA (0.39) DRD2CA12CA1KDM4A
SCHEMBL5592420 0.80 NQO2 (0.44) MALT1BCHEIDO1DRD2CA12
SCHEMBL7448350 0.77 MALT1 (0.41) MALT1BCHEIDO1DRD2CA12
SCHEMBL13199871 0.77 KDM4A (0.47) MALT1BCHEIDO1DRD2CA12
SCHEMBL15862027 0.76 MALT1 (0.41) MALT1BCHEIDO1DRD2CA12
SCHEMBL7203913 0.76 MALT1 (0.59) MALT1BCHEBRD4IDO1DRD2
SCHEMBL8293854 0.73 F2 (0.40) SIGMAR1KDM4A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
EP-0910563-B1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
EP-0977735-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-26 EP disclosed
EP-1102587-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-12 EP disclosed
CN-1099416-C Integrin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-01-22 CN disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
US-6458814-B1 VITRONECTIN RECEPTOR ANTAGONISTS AND ARE USEFUL IN THE TREATMENT OF OSTEOPOROSIS: TREATMENT OF INFLAMMATION, CANCER AND CARDIOVASCULAR DISORDERS, SUCH AS ATHEROSCLEROSIS AND RESTENOSIS, AND DISEASES WHEREIN BONE RESORPTION IS A FACTOR, SMITHKLINE BEECHAM CORPORATION 2002-10-01 US disclosed
EP-1102587-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-30 EP disclosed
US-6191304-B1 REDUCTION OF AN ALKYL 3-ALKYLOXY-11-OXO-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-10-ACETATE BY HYDROGENOLYSIS USING A PALLADIUM/ACTIVATED CARBON CATALYST; INTERMEDIATES FOR3-((4-AMINOPYRID-2-YL)AMINOALKYLENEOXY) DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
EP-0977735-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-04-05 EP disclosed
WO-2000007544-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-17 WO disclosed
EP-0977735-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-09 EP disclosed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed
EP-0910563-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-28 EP disclosed
EP-0910563-A4 1999-04-28 EP disclosed
WO-1998030542-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-16 WO disclosed
CN-1186806-A Integrin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1998-07-08 CN disclosed
WO-1997001540-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-16 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR MALT1 4700/4885BCHE 2272/4885BRD4 4450/4885

“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.