SCHEMBL851236

SCHEMBL851236

CCOC(=O)c1cc(OCc2ccc(CNC(=O)OC(C)(C)C)cc2)cc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
RAB9A P51151 1/20 0.45
SMPD1 P17405 1/20 0.40
PPARA Q07869 1/20 0.40
EPHX2 P34913 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.39
PTGER4 P35408 1/20 0.39
MAOB P27338 3/20 0.38
GPR119 Q8TDV5 1/20 0.38
SCN9A Q15858 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ADAM17 P78536 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 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
SCHEMBL850959 0.94 EPHX2 (0.44) HDAC1RAB9APPARAEPHX2TDP1
SCHEMBL851304 0.92 HDAC1 (0.42) HDAC1RAB9ASMPD1SCN9A
SCHEMBL851692 0.89 HDAC1 (0.50) HDAC1RAB9ASMPD1PPARAEPHX2
SCHEMBL851579 0.87 GPR119 (0.44) HDAC1RAB9AGPR119SCN9AADAM17
SCHEMBL851619 0.87 RAB9A (0.58) RAB9ASMPD1TDP1PTGER4MAOB
SCHEMBL851663 0.85 BTK (0.39) HDAC1PPARAEPHX2TDP1SCN9A
SCHEMBL851943 0.85 CA12 (0.47) HDAC1PPARAEPHX2NR1H4MEN1
SCHEMBL852544 0.84 CA12 (0.48) TDP1SCN9A
SCHEMBL851812 0.83 MAPT (0.47) HDAC1PPARATDP1MEN1KMT2A
SCHEMBL851237 0.83 RAB9A (0.44) RAB9ASMPD1TDP1PTGER4MAOB

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 1915/4885SMPD1 189/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 HDAC1 486/4885RAB9A 1915/4885SMPD1 189/4885

“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.