SCHEMBL852011

SCHEMBL852011

CCOC(=O)CCCCOc1cc(Oc2ccc(C#N)cc2)cc(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 7/20 0.44
PRSS1 P07477 6/20 0.44
PRSS2 P07478 6/20 0.44
PRSS3 P35030 6/20 0.44
PLG P00747 3/20 0.44
CNR1 P21554 3/20 0.42
CNR2 P34972 3/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
DRD2 P14416 1/20 0.41
F2 P00734 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 1/20 0.39
MAPT P10636 1/20 0.38
PRKAA2 P54646 1/20 0.38
POLB P06746 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
SCHEMBL851659 0.99 CNR1 (0.43) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL850915 0.88 ST14 (0.44) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL850813 0.88 ST14 (0.46) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851818 0.87 ST14 (0.46) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851939 0.87 ST14 (0.49) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851530 0.86 ST14 (0.52) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL8509916 0.84 ST14 (0.52) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851598 0.84 ST14 (0.57) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851148 0.84 ST14 (0.46) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851147 0.83 ST14 (0.46) ST14PRSS1PRSS2PRSS3PLG

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 ST14 216/4885PRSS1 3/4885PRSS2 23/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885PRSS1 3/4885PRSS2 23/4885

“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.