SCHEMBL13876231

SCHEMBL13876231

CS(=O)(=O)c1cc(F)ccc1CNC(=O)c1cccc(Oc2ncccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 4/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
DGAT2 Q96PD7 2/20 0.45
MAPT P10636 2/20 0.43
EPHX2 P34913 1/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41

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
SCHEMBL13876229 0.90 EPHX2 (0.47) DDR1MEN1KMT2ADGAT2MAPT
SCHEMBL13876232 0.83 DDR1 (0.63) DDR1GAAHPGDMAPTEPHX2
SCHEMBL13876216 0.80 EPHX2 (0.52) DDR1MEN1KMT2AGAAHPGD
SCHEMBL13876172 0.75 TSHR (0.59) MEN1KMT2AGAAHPGDEPHX2
SCHEMBL13876189 0.75 GAA (0.57) DDR1MEN1KMT2AGAAHPGD
SCHEMBL13876237 0.73 HPGDS (0.51) DDR1DGAT2EPHX2
SCHEMBL13876241 0.73 EPHX2 (0.49) DDR1DGAT2EPHX2
SCHEMBL13876233 0.71 ALDH1A1 (0.51) DDR1HPGDEPHX2NPC1RAB9A
SCHEMBL13876213 0.70 EPHX2 (0.56) EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL18049112 0.69 LOXL2 (0.71) LOXLOXL2

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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
WO-2007098352-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 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 (1 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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 DDR1 3354/4885MEN1 4518/4885KMT2A 2076/4885

“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.