SCHEMBL6180961

SCHEMBL6180961

CC(C)(C)OC(=O)N(CCCOS(C)(=O)=O)c1cccc[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.34
F2 P00734 4/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MMP13 P45452 1/20 0.31
STAT5B P51692 1/20 0.30

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
SCHEMBL6177046 0.97 L3MBTL1 (0.32) L3MBTL1F2
SCHEMBL6178236 0.84 L3MBTL1 (0.35) L3MBTL1F2CA14
SCHEMBL6965307 0.77 L3MBTL1 (0.32) L3MBTL1MMP13
SCHEMBL6174342 0.73 ITGB3 (0.45) L3MBTL1
SCHEMBL28643624 0.73 F2 (0.52) L3MBTL1F2CA12CA1CA7
SCHEMBL2797220 0.72 HDAC3 (0.47) L3MBTL1CA12CA1CA7CA14
SCHEMBL6421398 0.71 ITGB3 (0.41) F2
SCHEMBL25048209 0.70 RCE1 (0.44) L3MBTL1CA12CA1CA7CA14
SCHEMBL381079 0.69 KDM4E (0.44) L3MBTL1CA12CA1CA7CA14
SCHEMBL31583919 0.68 CA14 (0.44) L3MBTL1CA12CA1CA7CA14

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
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-6576643-B2 Compounds containing dibenzo(A,D)cycloheptene or dibenz(B,F)oxepine derivatives are useful for treating osteoporosis, cardiovascular diosrders, cancer and inflammation SMITHKLINE BEECHAM CORPORATION 2003-06-10 US disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 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 (2 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-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL L3MBTL1 4796/4885F2 2061/4885CA12 2412/4885
US-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR L3MBTL1 4658/4885F2 1452/4885CA12 3342/4885

“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.