SCHEMBL851317

SCHEMBL851317

CC(C)(C)OC(=O)Nc1cc(OCc2cccc(C#N)c2)cc(OCc2cccc(C#N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
FFAR4 Q5NUL3 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.48
SGMS2 Q8NHU3 1/20 0.46
MAOB P27338 2/20 0.46
SPHK1 Q9NYA1 2/20 0.46
SPHK2 Q9NRA0 1/20 0.46
GRM5 P41594 1/20 0.45
ADAMTS4 O75173 1/20 0.45
MMP13 P45452 1/20 0.45
EGLN2 Q96KS0 2/20 0.45
RORC P51449 1/20 0.44
PPIA P62937 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALKBH1 Q13686 1/20 0.43
KCNH2 Q12809 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL851778 0.87 EGLN2 (0.52) SIRT2MAOBSPHK1SPHK2ADAMTS4
SCHEMBL851430 0.84 RORC (0.46) FFAR1FFAR4SIRT2RORCKCNH2
SCHEMBL4032867 0.83 NPC1 (0.57) SIRT2ADAMTS4
SCHEMBL852006 0.80 F2 (0.53) FFAR1FFAR4SPHK1SPHK2RORC
SCHEMBL4500941 0.79 PDK1 (0.59) SIRT2EGLN2RORC
SCHEMBL30849775 0.79 PDK1 (0.59) SIRT2EGLN2RORC
SCHEMBL7143402 0.78 MEN1 (0.60) FFAR1MAOB
SCHEMBL4651644 0.77 EGLN2 (0.45) SIRT2ADAMTS4EGLN2RORC
SCHEMBL12579437 0.76 SMN1; SMN2 (0.52) MAOBPPIA
SCHEMBL30525768 0.76 ERCC1 (0.44) FFAR1FFAR4

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 FFAR1 3640/4885FFAR4 4056/4885SIRT2 3763/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 FFAR1 3640/4885FFAR4 4056/4885SIRT2 3763/4885

“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.