SCHEMBL851681

SCHEMBL851681

CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cc(OCc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.45
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
YAP1 P46937 5/20 0.42
PRKAB2 O43741 1/20 0.41
CYP3A4 P08684 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
CHRM4 P08173 3/20 0.41
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL851136 0.96 PRKAA2 (0.47) PRKAA2GPR119CCNCCDK8YAP1
SCHEMBL851914 0.93 PRSS1 (0.50) PRKAA2F2PRSS1PRSS2PRSS3
SCHEMBL851102 0.93 F2 (0.42) PRKAA2F2PRSS1PRSS2PRSS3
SCHEMBL851247 0.92 F2 (0.46) PRKAA2F2PRSS1PRSS2PRSS3
SCHEMBL851120 0.91 PRKAA2 (0.47) PRKAA2F2PRSS1PRSS2PRSS3
SCHEMBL852002 0.91 F2 (0.46) PRKAA2F2PRSS1PRSS2PRSS3
SCHEMBL852428 0.88 CHRM4 (0.43) PRKAA2F2PRSS1PRSS2PRSS3
SCHEMBL851266 0.87 CHRM4 (0.44) PRKAA2CCNCCDK8YAP1CHRM4
SCHEMBL861558 0.86 F2 (0.41) PRKAA2F2PRSS1PRSS2PRSS3
SCHEMBL851642 0.86 PRKAA2 (0.44) PRKAA2GPR119CCNCCDK8YAP1

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 PRKAA2 4478/4885F2 112/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PRKAA2 4478/4885F2 112/4885PRSS1 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.