SCHEMBL8511755

SCHEMBL8511755

N#Cc1ccc(Oc2cc(C(=O)NC3CCNCC3)cc(Oc3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.54
F10 P00742 2/20 0.54
ST14 Q9Y5Y6 2/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
SCN9A Q15858 12/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
EGLN1 Q9GZT9 1/20 0.48
HPGDS O60760 1/20 0.48
PKM P14618 1/20 0.44
KDM1A O60341 1/20 0.43

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
SCHEMBL851898 0.88 NPC1 (0.54) F2ST14PRSS1PRSS2PRSS3
SCHEMBL850776 0.88 EGLN1 (0.48) F2F10ST14PRSS1PRSS2
SCHEMBL851689 0.83 F2 (0.52) F2F10ST14PRSS1PRSS2
SCHEMBL851787 0.81 F2 (0.56) F2F10ST14PRSS1PRSS2
SCHEMBL851208 0.80 GPR119 (0.53) F2F10ST14PRSS1PRSS2
SCHEMBL851337 0.77 NPC1 (0.71) F2ST14PRSS1PRSS2PRSS3
SCHEMBL851551 0.76 ST14 (0.69) F2ST14PRSS1PRSS2PRSS3
SCHEMBL850692 0.76 PARP15 (0.53) F2F10SCN9ARAB9APKM
SCHEMBL850974 0.75 ST14 (0.69) F2ST14PRSS1PRSS2PRSS3
SCHEMBL850777 0.75 SCN9A (0.45) SCN9ANPC1RAB9AEGLN1HPGDS

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 3 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

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 F2 112/4885F10 152/4885ST14 216/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F2 112/4885F10 152/4885ST14 216/4885

“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.