SCHEMBL851897

SCHEMBL851897

CC(C)Oc1cc(C(=O)O)cc(Oc2ccc(C#N)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.50
FPR2 P25090 2/20 0.50
KMT2A Q03164 2/20 0.44
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
F10 P00742 2/20 0.43
F2 P00734 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
GAA P10253 1/20 0.43
SLC22A12 Q96S37 2/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL850692 0.89 PARP15 (0.53) SCN9AFPR2KMT2APARP15PARP10
SCHEMBL851042 0.89 SCN9A (0.47) SCN9AFPR2KMT2APARP15PARP10
SCHEMBL2656722 0.80 GCK (0.47) KMT2AF10F2
SCHEMBL2656280 0.78 KMT2A (0.52) KMT2AF10F2LMNAKDM4E
SCHEMBL851979 0.76 PARP15 (0.62) KMT2APARP15PARP10PARP2F2
SCHEMBL851195 0.75 F2 (0.58) KMT2APARP15PARP10PARP2F10
SCHEMBL6578795 0.74 F10 (0.62) F10F2JAK2JAK1JAK3
SCHEMBL1875078 0.73 KMT2A (0.51) KMT2AXDH
SCHEMBL2657835 0.73 KDM4E (0.55) KMT2ALMNAKDM4ECYP1A2POLB
SCHEMBL505264 0.72 PARP15 (0.71) KMT2APARP15PARP10PARP2LMNA

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 3179/4885KMT2A 3122/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 SCN9A 1907/4885FPR2 3179/4885KMT2A 3122/4885

“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.