SCHEMBL851461

SCHEMBL851461

N=C(N)c1cccc(COc2cc(OCc3cccc(C(=N)N)c3)cc(C(=O)N3CCC(CCN)CC3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 14/20 0.66
F2 P00734 14/20 0.66
PRSS1 P07477 5/20 0.66
PRSS2 P07478 5/20 0.66
PRSS3 P35030 5/20 0.66
F10 P00742 12/20 0.57
PLG P00747 8/20 0.50
PLAU P00749 8/20 0.50
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TMPRSS6 Q8IU80 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL850868 0.94 ST14 (0.78) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851672 0.89 PRSS1 (0.76) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851276 0.89 ST14 (0.54) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851881 0.87 ST14 (0.54) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851139 0.85 ST14 (0.85) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851299 0.84 ST14 (0.62) ST14F2PRSS1PRSS2PRSS3
SCHEMBL861314 0.79 ST14 (1.00) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851670 0.79 ST14 (0.90) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851736 0.79 PRSS1 (0.78) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851319 0.79 PRSS1 (0.58) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102427853-B Protease Inhibitors ORION CORP 2014-11-05 CN disclosed
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.