SCHEMBL851778

SCHEMBL851778

CC(C)(C)OC(=O)Nc1cc(OCc2ccc(C#N)cc2)cc(OCc2ccc(C#N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.52
RAB9A P51151 2/20 0.49
SMPD1 P17405 1/20 0.48
PTPN1 P18031 1/20 0.47
ADAMTS4 O75173 2/20 0.46
GPR119 Q8TDV5 1/20 0.46
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
MAOB P27338 3/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
HDAC1 Q13547 1/20 0.41
CYP17A1 P05093 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL851317 0.87 FFAR1 (0.51) EGLN2PTPN1ADAMTS4SPHK2SPHK1
SCHEMBL4032867 0.84 NPC1 (0.57) RAB9AADAMTS4NPC1SMN1; SMN2SIRT2
SCHEMBL852696 0.83 DRD2 (0.47) EGLN2RAB9ASMPD1GPR119
SCHEMBL5866112 0.82 EGLN2 (0.47) EGLN2CYP17A1
SCHEMBL851829 0.80 EGLN2 (0.50) EGLN2RAB9AGPR119SIRT2
SCHEMBL959690 0.79 EGLN2 (0.55) EGLN2RAB9AHDAC1CYP17A1
SCHEMBL5866260 0.79 PPARA (0.47) EGLN2RAB9ASMPD1NPC1SIRT2
SCHEMBL7143402 0.79 MEN1 (0.60) RAB9AMAOBNPC1SMN1; SMN2
SCHEMBL8511761 0.79 ST14 (0.53) RAB9ASMPD1GPR119SPHK2SPHK1
SCHEMBL851473 0.78 HDAC1 (0.43) EGLN2PTPN1HDAC1

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 EGLN2 813/4885RAB9A 1915/4885SMPD1 189/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 EGLN2 813/4885RAB9A 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.