SCHEMBL13890801

SCHEMBL13890801

CC(C)C(=O)c1ccc(Oc2ccccc2S(C)(=O)=O)nc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
EPHX2 P34913 1/20 0.43
GCK P35557 5/20 0.38
GRN P28799 2/20 0.38
SORT1 Q99523 2/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
NNMT P40261 1/20 0.35

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
SCHEMBL13875927 0.85 EPHX2 (0.44) HRH3EPHX2GCKGRNSORT1
SCHEMBL13876356 0.80 GRM5 (0.50) EPHX2GRNSORT1LMNAOPRM1
SCHEMBL10022356 0.79 ADRA2A (0.40) HRH3GCKADRA2AADRA2BADRA2C
SCHEMBL16168677 0.77 PTGS1 (0.45) GCKADRA2AADRA2BADRA2CLMNA
SCHEMBL4188533 0.73 EPHX2 (0.59) EPHX2LMNA
SCHEMBL13876408 0.72 EPHX2 (0.65) EPHX2
SCHEMBL13876485 0.72 EPHX2 (0.64) EPHX2OPRM1OPRD1
SCHEMBL20906965 0.72 NNMT (0.64) LMNAMEN1KMT2ANNMT
SCHEMBL13890782 0.70 HRH3 (0.46) HRH3GRNSORT1LMNAOPRM1
SCHEMBL4250116 0.69 MAPT (0.54) HRH3LMNA

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 1 patent. 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

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 HRH3 67/4885EPHX2 2/4885GCK 4080/4885

“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.