SCHEMBL851915

SCHEMBL851915

CC(C)(C)OC(=O)C(N)CC1CCN(C(=O)c2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.49
PRSS2 P07478 4/20 0.49
PRSS3 P35030 4/20 0.49
ST14 Q9Y5Y6 3/20 0.49
F2 P00734 2/20 0.49
GPR119 Q8TDV5 2/20 0.43
KDM1A O60341 4/20 0.40
SCN9A Q15858 2/20 0.40
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
F10 P00742 1/20 0.39
POLB P06746 1/20 0.39
PLG P00747 1/20 0.39
PARP10 Q53GL7 1/20 0.39
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
NAMPT P43490 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL860553 0.87 ST14 (0.67) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851847 0.85 PRSS1 (0.54) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851246 0.82 PRSS1 (0.45) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851914 0.81 PRSS1 (0.50) PRSS1PRSS2PRSS3ST14F2
SCHEMBL8510132 0.79 ALDH1A1 (0.47) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851458 0.78 GPR119 (0.55) GPR119SCN9ACYP11B2
SCHEMBL851120 0.78 PRKAA2 (0.47) PRSS1PRSS2PRSS3ST14F2
SCHEMBL852002 0.77 F2 (0.46) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851247 0.77 F2 (0.46) PRSS1PRSS2PRSS3ST14F2
SCHEMBL852012 0.76 PRSS1 (0.51) PRSS1PRSS2PRSS3ST14F2

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 PRSS1 3/4885PRSS2 23/4885PRSS3 11/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PRSS1 3/4885PRSS2 23/4885PRSS3 11/4885

“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.