SCHEMBL851653

SCHEMBL851653

CCOC(=O)N1CCC(NC(=O)c2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 4/20 0.74
PRSS1 P07477 3/20 0.74
PRSS2 P07478 3/20 0.74
PRSS3 P35030 3/20 0.74
PLG P00747 1/20 0.74
HSD17B10 Q99714 3/20 0.52
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 4/20 0.50
TP53 P04637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50
CASP1 P29466 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
F2 P00734 2/20 0.49
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL851673 0.87 GPR119 (0.57) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851886 0.85 ST14 (1.00) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851351 0.84 ST14 (0.53) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL852091 0.84 ST14 (0.80) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL850539 0.82 ALDH1A1 (0.63) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851810 0.81 ST14 (0.56) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851856 0.81 ST14 (0.73) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL850974 0.80 ST14 (0.69) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851337 0.80 NPC1 (0.71) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851551 0.79 ST14 (0.69) 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.