SCHEMBL13876356

SCHEMBL13876356

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
EPHX2 P34913 7/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NAMPT P43490 1/20 0.46
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
GABRA5 P31644 1/20 0.43
GRN P28799 2/20 0.42
SORT1 Q99523 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2J2 P51589 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 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
SCHEMBL14457461 0.84 GRM5 (0.53) GRM5EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL13876376 0.82 EPHX2 (0.54) GRM5EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL13876375 0.81 GRM5 (0.53) GRM5EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL13876362 0.81 EPHX2 (0.55) GRM5EPHX2NAMPTGRNSORT1
SCHEMBL13890801 0.80 HRH3 (0.43) EPHX2GRNSORT1LMNAOPRM1
SCHEMBL13876359 0.80 EPHX2 (0.48) GRM5EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL13876485 0.78 EPHX2 (0.64) EPHX2NPC1RAB9AALDH1A1OPRM1
SCHEMBL13875927 0.77 EPHX2 (0.44) EPHX2RAB9AGRNSORT1
SCHEMBL4188533 0.77 EPHX2 (0.59) EPHX2LMNA
SCHEMBL13876408 0.76 EPHX2 (0.65) EPHX2

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 GRM5 3574/4885EPHX2 2/4885SMN1; SMN2 4349/4885

“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.