SCHEMBL851545

SCHEMBL851545

CC(C)Oc1cc(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)cc(Oc2ccc(C#N)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
ST14 Q9Y5Y6 2/20 0.47
F10 P00742 1/20 0.47
NAMPT P43490 1/20 0.41
PRKAA2 P54646 3/20 0.41
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
GPR119 Q8TDV5 1/20 0.38
CHRM4 P08173 2/20 0.38
FASN P49327 3/20 0.38
F2 P00734 1/20 0.38
SLC6A4 P31645 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
SCN9A Q15858 1/20 0.37
PRKAB2 O43741 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL851532 0.94 PRSS1 (0.51) PRSS1PRSS2PRSS3ST14F10
SCHEMBL851914 0.86 PRSS1 (0.50) PRSS1PRSS2PRSS3ST14F10
SCHEMBL852002 0.84 F2 (0.46) PRSS1PRSS2PRSS3ST14NAMPT
SCHEMBL851247 0.82 F2 (0.46) PRSS1PRSS2PRSS3ST14NAMPT
SCHEMBL851870 0.81 ST14 (0.71) PRSS1PRSS2PRSS3ST14F10
SCHEMBL851402 0.81 F10 (0.53) PRSS1PRSS2PRSS3ST14F10
SCHEMBL851120 0.81 PRKAA2 (0.47) PRSS1PRSS2PRSS3ST14NAMPT
SCHEMBL851872 0.81 PRSS1 (0.57) PRSS1PRSS2PRSS3ST14F10
SCHEMBL851681 0.80 PRKAA2 (0.45) PRSS1PRSS2PRSS3ST14PRKAA2
SCHEMBL851246 0.80 PRSS1 (0.45) PRSS1PRSS2PRSS3ST14F10

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.