SCHEMBL851281

SCHEMBL851281

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(OCc3ccc(Br)nc3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 13/20 0.62
F2 P00734 10/20 0.62
PRSS1 P07477 9/20 0.49
PRSS2 P07478 9/20 0.49
PRSS3 P35030 9/20 0.49
PRKAA2 P54646 2/20 0.41
DRD2 P14416 1/20 0.40
SCN9A Q15858 1/20 0.40
PLG P00747 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38
SMPD1 P17405 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
SCHEMBL851598 0.91 ST14 (0.57) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851057 0.90 ST14 (0.60) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851759 0.90 ST14 (0.49) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8511761 0.87 ST14 (0.53) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851900 0.87 ST14 (0.51) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851254 0.86 ST14 (0.52) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851813 0.85 ST14 (0.53) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851530 0.85 ST14 (0.52) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8509916 0.84 ST14 (0.52) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851954 0.84 ST14 (0.48) ST14F2PRSS1PRSS2PRSS3

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 216/4885F2 112/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885F2 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.