SCHEMBL852343

SCHEMBL852343

CC(C)OC(=O)c1cc(O)nc(OC(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.54
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CA7 P43166 6/20 0.54
CA9 Q16790 6/20 0.54
CA14 Q9ULX7 6/20 0.54
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN11 Q06124 2/20 0.43
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL16606258 0.74 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL2656280 0.73 KMT2A (0.52) CA12CA1CA2CA7CA9
SCHEMBL2658293 0.72 KDM4E (0.77) CA12CA1CA2CA7CA9
SCHEMBL851042 0.72 SCN9A (0.47) CA12CA1CA2CA7CA9
SCHEMBL2659524 0.72 GCK (0.45) CA12CA1CA2CA7CA9
SCHEMBL1817014 0.72 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL1179763 0.72 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL9605443 0.72 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL23066461 0.71 CA12 (0.92) CA12CA1CA2CA7CA9
SCHEMBL39331 0.71 CA12 (1.00) CA12CA1CA2CA7CA9

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
CN-102427853-B Protease Inhibitors ORION CORP 2014-11-05 CN disclosed
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
CN-102427853-A Protease Inhibitors ORION CORP 2012-04-25 CN disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO disclosed
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 CA12 2031/4885CA1 1657/4885CA2 2649/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 CA12 2031/4885CA1 1657/4885CA2 2649/4885

“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.