SCHEMBL851692

SCHEMBL851692

CC(C)(C)OC(=O)NCc1ccc(COc2cc(Oc3ccc(C#N)cc3)cc(C(=O)O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
RAB9A P51151 1/20 0.46
PPARA Q07869 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTGER4 P35408 1/20 0.43
SMPD1 P17405 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
PTPN1 P18031 1/20 0.43
EPHX2 P34913 1/20 0.43
NR4A2 P43354 2/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
ALKBH1 Q13686 1/20 0.41
MAOB P27338 2/20 0.40
PPARG P37231 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 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
SCHEMBL852057 0.94 PPARA (0.49) HDAC1RAB9APPARAMEN1KMT2A
SCHEMBL851558 0.92 MEN1 (0.44) HDAC1RAB9AMEN1KMT2ASMPD1
SCHEMBL851236 0.89 HDAC1 (0.47) HDAC1RAB9APPARAMEN1KMT2A
SCHEMBL24732696 0.85 EPHX2 (0.52) HDAC1RAB9APPARAMEN1KMT2A
SCHEMBL851254 0.85 ST14 (0.52) HDAC1RAB9APPARA
SCHEMBL851678 0.84 MEN1 (0.60) RAB9AMEN1KMT2APTGER4SMPD1
SCHEMBL851597 0.84 PPARA (0.40) HDAC1RAB9APPARAMEN1KMT2A
SCHEMBL851986 0.83 CA12 (0.52)
SCHEMBL851579 0.83 GPR119 (0.44) HDAC1RAB9AMEN1KMT2A
SCHEMBL850959 0.82 EPHX2 (0.44) HDAC1RAB9APPARAMEN1KMT2A

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 HDAC1 486/4885RAB9A 1915/4885PPARA 4625/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 HDAC1 486/4885RAB9A 1915/4885PPARA 4625/4885

“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.