SCHEMBL13876002

SCHEMBL13876002

CC(C)(C)C(=O)c1ccnc(Oc2cccc(S(C)(=O)=O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.43
NR1H3 Q13133 8/20 0.43
RXRA P19793 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
GCK P35557 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
SYK P43405 1/20 0.39
KDR P35968 1/20 0.38
CNR2 P34972 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
SCHEMBL13875998 0.86 LOXL2 (0.40) GPR119GCKLOXL2KDR
SCHEMBL13875930 0.83 ALDH1A1 (0.45) NR1H2NR1H3GPR119GCKCNR2
SCHEMBL13876048 0.80 ABL1 (0.43) GPR119LOXL2KDR
SCHEMBL13876006 0.79 GCK (0.39) NR1H3GPR119GCK
SCHEMBL13875991 0.79 HRH3 (0.48) LOXL2SYK
SCHEMBL13876010 0.78 GRM5 (0.50)
SCHEMBL13876008 0.77 LOXL2 (0.41) LOXL2KDR
SCHEMBL13543253 0.76 SMN1; SMN2 (0.51)
SCHEMBL13875986 0.75 LOXL2 (0.42) LOXL2KDR
SCHEMBL13876011 0.74 KDM4E (0.42)

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 2 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

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 NR1H2 113/4885NR1H3 93/4885RXRA 617/4885

“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.