SCHEMBL851719

SCHEMBL851719

CC(C)(C)OC(=O)NCc1ccc(Oc2cc(Oc3ccc(C#N)cc3C(F)(F)F)cc(C(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.43
ST14 Q9Y5Y6 6/20 0.43
PRSS1 P07477 5/20 0.43
PRSS2 P07478 5/20 0.43
PRSS3 P35030 5/20 0.43
DRD2 P14416 1/20 0.41
EPAS1 Q99814 1/20 0.39
F2 P00734 5/20 0.39
PLG P00747 1/20 0.39
PRKAA2 P54646 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
GCGR P47871 1/20 0.36
SCN9A Q15858 5/20 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
SCHEMBL851365 0.90 ST14 (0.50) ST14PRSS1PRSS2PRSS3DRD2
SCHEMBL851285 0.87 ST14 (0.51) ST14PRSS1PRSS2PRSS3F2
SCHEMBL852043 0.87 ST14 (0.43) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851254 0.85 ST14 (0.52) ST14PRSS1PRSS2PRSS3DRD2
SCHEMBL851811 0.85 ST14 (0.46) ST14PRSS1PRSS2PRSS3DRD2
SCHEMBL851148 0.84 ST14 (0.46) ST14PRSS1PRSS2PRSS3DRD2
SCHEMBL851720 0.84 ST14 (0.41) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3795204 0.84 ST14 (0.47) ST14PRSS1PRSS2PRSS3DRD2
SCHEMBL852315 0.83 ST14 (0.43) ST14PRSS1PRSS2PRSS3DRD2
SCHEMBL851530 0.82 ST14 (0.52) ST14PRSS1PRSS2PRSS3DRD2

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 SSTR4 3060/4885ST14 216/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 SSTR4 3060/4885ST14 216/4885PRSS1 3/4885

“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.