SCHEMBL850593

SCHEMBL850593

N#Cc1ccc(Oc2ccc(C(=O)NCCC(=O)O)c(Oc3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.52
F2 P00734 3/20 0.52
ST14 Q9Y5Y6 3/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
EGLN1 Q9GZT9 7/20 0.47
EGLN2 Q96KS0 5/20 0.46
MMP2 P08253 1/20 0.41
SCN9A Q15858 5/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL850591 0.86 F10 (0.48) F10F2ST14PRSS1PRSS2
SCHEMBL851127 0.81 F10 (0.77) F10F2ST14PRSS1PRSS2
SCHEMBL8509596 0.81 F10 (0.53) F10F2ST14PRSS1PRSS2
SCHEMBL851053 0.81 F10 (0.51) F10F2ST14PRSS1PRSS2
SCHEMBL850827 0.78 F10 (0.57) F10F2ST14PRSS1PRSS2
SCHEMBL851787 0.76 F2 (0.56) F10F2ST14PRSS1PRSS2
SCHEMBL6581912 0.76 EGLN1 (0.61) F10F2EGLN1JAK2JAK1
SCHEMBL852030 0.75 F10 (0.48) F10EGLN1SCN9A
SCHEMBL8509642 0.74 F10 (0.58) F10EGLN1
SCHEMBL850679 0.73 F10 (0.46) F10EGLN1SCN9A

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