SCHEMBL851282

SCHEMBL851282

N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(C(=O)N3CCC(C(=O)O)CC3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.69
PRSS2 P07478 3/20 0.69
PRSS3 P35030 3/20 0.69
GAA P10253 1/20 0.54
HTT P42858 1/20 0.51
POLB P06746 2/20 0.51
MGLL Q99685 1/20 0.50
EPHX2 P34913 1/20 0.49
F2 P00734 2/20 0.48
ST14 Q9Y5Y6 2/20 0.48
MAPT P10636 1/20 0.48
KCNA5 P22460 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
SCN9A Q15858 3/20 0.46
PLG P00747 1/20 0.46
SCN7A Q01118 1/20 0.45
KCNH2 Q12809 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45

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
SCHEMBL850957 0.84 PARP10 (0.63) PRSS1PRSS2PRSS3GAAPOLB
SCHEMBL851451 0.82 SCN9A (0.63) PRSS1PRSS2PRSS3KCNA5MMP2
SCHEMBL851218 0.82 PRSS1 (1.00) PRSS1PRSS2PRSS3GAAHTT
SCHEMBL850977 0.80 PRSS1 (0.71) PRSS1PRSS2PRSS3EPHX2F2
SCHEMBL851359 0.80 PRSS1 (0.76) PRSS1PRSS2PRSS3GAAHTT
SCHEMBL850539 0.77 ALDH1A1 (0.63) PRSS1PRSS2PRSS3GAAPOLB
SCHEMBL851458 0.76 GPR119 (0.55) KCNA5MMP2MMP9SCN9ASCN7A
SCHEMBL852012 0.75 PRSS1 (0.51) PRSS1PRSS2PRSS3POLBF2
SCHEMBL851599 0.75 POLB (0.49) PRSS1PRSS2PRSS3POLBF2
SCHEMBL851914 0.74 PRSS1 (0.50) PRSS1PRSS2PRSS3F2ST14

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 PRSS1 3/4885PRSS2 23/4885PRSS3 11/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PRSS1 3/4885PRSS2 23/4885PRSS3 11/4885

“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.