SCHEMBL851599

SCHEMBL851599

N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(C(=O)N3CCCC4CCCCC43)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
HSD11B1 P28845 6/20 0.45
HSD17B1 P14061 1/20 0.45
DPP4 P27487 2/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
SCN9A Q15858 3/20 0.43
CNR2 P34972 1/20 0.43
FPR2 P25090 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
EGLN2 Q96KS0 1/20 0.42

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
SCHEMBL852153 0.93 POLB (0.46) POLBTDP1F2PLGPRSS1
SCHEMBL851313 0.84 HSD11B1 (0.42) POLBTDP1F2PLGPRSS1
SCHEMBL850977 0.81 PRSS1 (0.71) F2PLGPRSS1PRSS2PRSS3
SCHEMBL8509602 0.77 POLB (0.45) POLBTDP1F2PLGPRSS1
SCHEMBL3789383 0.76 F2 (0.48) POLBTDP1F2PLGPRSS1
SCHEMBL861469 0.76 ST14 (0.61) F2PLGPRSS1PRSS2PRSS3
SCHEMBL851282 0.75 PRSS1 (0.69) POLBF2PLGPRSS1PRSS2
SCHEMBL851451 0.74 SCN9A (0.63) PRSS1PRSS2PRSS3PARP15PARP10
SCHEMBL851611 0.72 HSD11B1 (0.46) POLBTDP1F2PLGPRSS1
SCHEMBL851337 0.72 NPC1 (0.71) F2PLGPRSS1PRSS2PRSS3

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 POLB 1970/4885TDP1 715/4885F2 112/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 POLB 1970/4885TDP1 715/4885F2 112/4885

“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.