SCHEMBL13876233

SCHEMBL13876233

CS(=O)(=O)c1cc(F)ccc1CNC(=O)c1ccc(N2CCCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 4/20 0.51
MAPK8 P45983 8/20 0.49
EPHX2 P34913 3/20 0.48
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CXCR3 P49682 1/20 0.44
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
DDR1 Q08345 1/20 0.43

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
SCHEMBL13876222 0.80 EPHX2 (0.59) ALDH1A1SMN1; SMN2HPGDMAPK8EPHX2
SCHEMBL13876237 0.77 HPGDS (0.51) EPHX2DDR1
SCHEMBL13876178 0.75 EPHX2 (0.68) ALDH1A1SMN1; SMN2HPGDMAPK8EPHX2
SCHEMBL13876240 0.72 EPHX2 (0.51) EPHX2NR1H4DDR1
SCHEMBL25136482 0.72 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL13876229 0.72 EPHX2 (0.47) SMN1; SMN2EPHX2RAB9ANPC1NR1H4
SCHEMBL13876198 0.72 EPHX2 (0.62) ALDH1A1SMN1; SMN2HPGDMAPK8EPHX2
SCHEMBL31281782 0.71 CLK2 (0.48) ALDH1A1RAB9AKDM4ENPC1
SCHEMBL13876241 0.71 EPHX2 (0.49) EPHX2NR1H4DDR1
SCHEMBL13876231 0.71 DDR1 (0.52) ALDH1A1SMN1; SMN2HPGDEPHX2RAB9A

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 ALDH1A1 310/4885SMN1; SMN2 4349/4885HPGD 14/4885

“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.