SCHEMBL852322

SCHEMBL852322

CC(C)(C)OC(=O)NCCC(=O)N1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cc3)nc2Oc2ccc(C#N)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.56
ST14 Q9Y5Y6 3/20 0.56
F2 P00734 2/20 0.56
PRKAA2 P54646 5/20 0.44
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
SIGMAR1 Q99720 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
SCN9A Q15858 2/20 0.37
DRD2 P14416 1/20 0.36
CYP3A4 P08684 2/20 0.36
DPP4 P27487 1/20 0.36
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36

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
SCHEMBL850860 0.88 SIGMAR1 (0.43) F10ST14F2PRKAA2PRSS1
SCHEMBL851302 0.88 F2 (0.45) F10ST14F2PRKAA2PRSS1
SCHEMBL851645 0.87 F2 (0.52) F10ST14F2PRSS1PRSS2
SCHEMBL851940 0.87 ST14 (0.64) F10ST14F2PRKAA2PRSS1
SCHEMBL851123 0.87 ST14 (0.76) F10ST14F2PRSS1PRSS2
SCHEMBL851535 0.85 F2 (0.53) F10ST14F2PRSS1PRSS2
SCHEMBL860155 0.84 ST14 (0.60) F10ST14F2PRKAA2PRSS1
SCHEMBL851402 0.83 F10 (0.53) F10ST14F2PRKAA2PRSS1
SCHEMBL851053 0.81 F10 (0.51) F10ST14F2PRSS1PRSS2
SCHEMBL851176 0.79 F10 (0.49) F10ST14F2PRKAA2PRSS1

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 F10 152/4885ST14 216/4885F2 112/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F10 152/4885ST14 216/4885F2 112/4885

“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.