SCHEMBL909883

SCHEMBL909883

CC(C)(C)OC(=O)c1ccc2c(ccc[n+]2[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
SLC7A5 Q01650 1/20 0.38
STAT3 P40763 2/20 0.37
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SRD5A1 P18405 1/20 0.33

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
SCHEMBL1285843 0.84 ALOX15 (0.49) CA12CA1CA2CA9CA14
SCHEMBL1285549 0.81 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL12571594 0.79 MAPT (0.47) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL17186155 0.77 PAX8 (0.33) PPARG
SCHEMBL15237815 0.77 KAT6A (0.44) CA12CA1CA9ALDH1A1
SCHEMBL3726302 0.77 PTPN1 (0.45) CA12CA1CA2CA9CA14
SCHEMBL3824645 0.77 PTPN1 (0.45) CA12CA1CA2CA9CA14
SCHEMBL5792614 0.76 LCK (0.43) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1415273 0.76 CES2 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8390404 0.75 GABRA1 (0.50) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
EP-2215054-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS INC (US) 2011-08-31 EP disclosed
US-7964732-B2 Substituted bicyclocarboxyamide compounds PFIZER INC. (US) 2011-06-21 US disclosed
EP-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
US-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 US disclosed
EP-2091944-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer, Inc. (US) 2009-08-26 EP disclosed
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
WO-2008059370-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-22 WO disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
CN-1914195-A Substituted quinoline compounds PFIZER PROD INC (US) 2007-02-14 CN disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 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 (5 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-20100267769-A1 Substituted Bicyclocarboxyamide Compounds TRPV1, OPRL1, CNR1 CA12 3661/4885CA1 2239/4885CA2 709/4885
US-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN CA12 4878/4885CA1 4881/4885CA2 4873/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 CA12 4871/4885CA1 4875/4885CA2 4865/4885
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 CA12 4054/4885CA1 876/4885CA2 277/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 CA12 4871/4885CA1 4875/4885CA2 4865/4885

“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.