SCHEMBL851626

SCHEMBL851626

CC(=O)N(O)C(=N)c1ccc(Oc2cc(Oc3ccc(C(=N)N(O)C(C)=O)cc3)cc(C(=O)C3NCCC4CCCCC43)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 15/20 0.40
PRSS1 P07477 13/20 0.40
PRSS2 P07478 13/20 0.40
PRSS3 P35030 13/20 0.40
F2 P00734 13/20 0.40
PLG P00747 6/20 0.40
SCN9A Q15858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL850443 0.75 PRSS1 (0.71) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851241 0.73 ST14 (0.69) ST14PRSS1PRSS2PRSS3F2
SCHEMBL852038 0.71 F2 (0.70) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851808 0.68 ST14 (0.71) ST14PRSS1PRSS2PRSS3F2
SCHEMBL850830 0.68 ST14 (0.69) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3791583 0.67 HPGD (0.42) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851791 0.67 PDE4A (0.43) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851605 0.65 F2 (0.72) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851919 0.65 ALDH1A1 (0.56) ST14PRSS1PRSS2PRSS3F2
SCHEMBL8513660 0.65 F2 (0.72) ST14PRSS1PRSS2PRSS3F2

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.