SCHEMBL850591

SCHEMBL850591

CCOC(=O)CCNC(=O)c1ccc(Oc2ccc(C#N)cc2)nc1Oc1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.48
F2 P00734 3/20 0.48
ST14 Q9Y5Y6 3/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
KDM4E B2RXH2 2/20 0.45
EGLN1 Q9GZT9 1/20 0.44
SCN9A Q15858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.39
TNF P01375 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
MGLL Q99685 1/20 0.38
P2RX3 P56373 1/20 0.38

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
SCHEMBL850593 0.86 F10 (0.52) F10F2ST14PRSS1PRSS2
SCHEMBL8509642 0.82 F10 (0.58) F10KDM4EEGLN1SMN1; SMN2ALDH1A1
SCHEMBL851053 0.78 F10 (0.51) F10F2ST14PRSS1PRSS2
SCHEMBL8512629 0.77 L3MBTL1 (0.55) F10KDM4EEGLN1SMN1; SMN2ALDH1A1
SCHEMBL850827 0.76 F10 (0.57) F10F2ST14PRSS1PRSS2
SCHEMBL8508932 0.76 F10 (0.52) F10KDM4EEGLN1SMN1; SMN2ALDH1A1
SCHEMBL8508907 0.76 F10 (0.52) F10KDM4EEGLN1SMN1; SMN2ALDH1A1
SCHEMBL3929566 0.75 MAPT (0.55) PRSS1KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL406494 0.74 GAA (0.49) SMN1; SMN2ALDH1A1MAPTTNFIRAK4
SCHEMBL8509596 0.74 F10 (0.53) F10F2ST14PRSS1PRSS2

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.