SCHEMBL852057

SCHEMBL852057

CC(C)(C)OC(=O)NCc1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(C(=O)O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.49
EPHX2 P34913 1/20 0.47
HDAC1 Q13547 2/20 0.43
SCN9A Q15858 2/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1B Q00975 1/20 0.42
NAMPT P43490 2/20 0.41
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PTGER4 P35408 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1B1 P15121 1/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL851692 0.94 HDAC1 (0.50) PPARAEPHX2HDAC1PTGER4MEN1
SCHEMBL24732696 0.91 EPHX2 (0.52) PPARAEPHX2HDAC1SCN9ACACNA1G
SCHEMBL851597 0.89 PPARA (0.40) PPARAEPHX2HDAC1SCN9ACACNA1G
SCHEMBL850959 0.88 EPHX2 (0.44) PPARAEPHX2HDAC1SCN9ACACNA1G
SCHEMBL851558 0.88 MEN1 (0.44) HDAC1MEN1PKMRAB9AKMT2A
SCHEMBL3274015 0.85 EPHX2 (0.58) PPARAEPHX2HDAC1NAMPTL3MBTL1
SCHEMBL851986 0.84 CA12 (0.52) SCN9AMAPTMAPK1
SCHEMBL851365 0.83 ST14 (0.50) PPARAEPHX2HDAC1SCN9ARAB9A
SCHEMBL851236 0.83 HDAC1 (0.47) PPARAEPHX2HDAC1SCN9APTGER4
SCHEMBL3795204 0.83 ST14 (0.47) PPARAEPHX2HDAC1SCN9ARAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 PPARA 4625/4885EPHX2 2697/4885HDAC1 486/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PPARA 4625/4885EPHX2 2697/4885HDAC1 486/4885

“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.