SCHEMBL851042

SCHEMBL851042

CC(C)OC(=O)c1cc(Oc2ccc(C#N)cc2)nc(OC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.47
FPR2 P25090 2/20 0.47
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
SLC22A12 Q96S37 2/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL851897 0.89 SCN9A (0.50) SCN9AFPR2PARP15PARP10PARP2
SCHEMBL2659524 0.81 GCK (0.45) CA12CA1CA2CA7CA9
SCHEMBL850692 0.78 PARP15 (0.53) SCN9AFPR2PARP15PARP10PARP2
SCHEMBL851195 0.78 F2 (0.58) PARP15PARP10PARP2SMN1; SMN2LMNA
SCHEMBL14393303 0.74 CA1 (0.61) PARP15PARP10PARP2SMN1; SMN2LMNA
SCHEMBL852343 0.72 CA12 (0.54) SMN1; SMN2HTTKDM4ECA12CA1
SCHEMBL2656722 0.69 GCK (0.47) KMT2A
SCHEMBL1817014 0.68 CA12 (0.60) PARP10SMN1; SMN2GAALMNAHTT
SCHEMBL14094399 0.67 CA12 (0.47) PARP15PARP10PARP2SMN1; SMN2LMNA
SCHEMBL25314649 0.67 PARP15 (0.57) SCN9APARP15PARP10PARP2LMNA

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 SCN9A 1907/4885FPR2 3179/4885PARP15 118/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 SCN9A 1907/4885FPR2 3179/4885PARP15 118/4885

“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.