SCHEMBL851916

SCHEMBL851916

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc(OCc3cccc(C#N)c3)cc2OCc2cccc(C#N)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.49
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KCNH2 Q12809 1/20 0.44
DRD2 P14416 1/20 0.44
BRD4 O60885 1/20 0.43
SGMS2 Q8NHU3 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
PDCD1 Q15116 5/20 0.42
CD274 Q9NZQ7 5/20 0.42
GRM5 P41594 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
RORC P51449 1/20 0.41
KDM4D Q6B0I6 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
SCHEMBL852146 0.90 DRD2 (0.45) METKCNH2DRD2SGMS2MEN1
SCHEMBL852006 0.87 F2 (0.53) FFAR1FFAR4KCNH2DRD2BRD4
SCHEMBL851813 0.84 ST14 (0.53) FFAR1FFAR4KCNH2DRD2BRD4
SCHEMBL851430 0.80 RORC (0.46) FFAR1FFAR4KCNH2DRD2RORC
SCHEMBL851587 0.80 MET (0.45) METKCNH2PDCD1CD274
SCHEMBL2802943 0.77 MAOB (0.49) FFAR1FFAR4KCNH2DRD2ALDH1A1
SCHEMBL8511761 0.77 ST14 (0.53) DRD2
SCHEMBL8509922 0.77 ST14 (0.53) DRD2
SCHEMBL851900 0.77 ST14 (0.51) DRD2
SCHEMBL851656 0.76 ST14 (0.51) DRD2

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 MET 3128/4885FFAR1 3640/4885FFAR4 4056/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MET 3128/4885FFAR1 3640/4885FFAR4 4056/4885

“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.