SCHEMBL851886

SCHEMBL851886

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 18/20 1.00
PRSS1 P07477 11/20 1.00
PRSS2 P07478 11/20 1.00
PRSS3 P35030 11/20 1.00
PLG P00747 3/20 1.00
F2 P00734 14/20 0.69
F10 P00742 1/20 0.54

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
SCHEMBL852091 0.89 ST14 (0.80) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851653 0.85 ST14 (0.74) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851016 0.85 ST14 (0.74) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851671 0.83 ST14 (0.80) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851129 0.82 PRSS1 (0.69) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL852160 0.82 ST14 (0.78) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851845 0.82 ST14 (1.00) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851956 0.81 ST14 (1.00) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851479 0.81 ST14 (1.00) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL851202 0.80 ST14 (1.00) 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.