SCHEMBL4190362

SCHEMBL4190362

CS(=O)(=O)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.72
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
MMP3 P08254 5/20 0.49
MMP1 P03956 4/20 0.49
MMP2 P08253 4/20 0.49
MMP7 P09237 4/20 0.49
MMP9 P14780 4/20 0.49
MMP13 P45452 4/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
KIF11 P52732 1/20 0.48
HSD11B1 P28845 7/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
SCHEMBL803901 0.94 PTGS2 (0.68) PTGS2CA12CA1CA2CA9
SCHEMBL30069983 0.84 PTGS2 (0.55) PTGS2CA12CA1CA2CA9
SCHEMBL8652231 0.84 PTGS2 (1.00) PTGS2
SCHEMBL8974143 0.84 PTGS2 (0.63) PTGS2CA12CA1CA2CA9
SCHEMBL5458774 0.82 PTGS2 (0.57) PTGS2CA12CA1CA2CA9
SCHEMBL10951291 0.82 PTGS2 (0.57) PTGS2CA12CA1CA2CA9
SCHEMBL689244 0.82 ADAMTS4 (0.55) PTGS2CA12CA1CA2CA9
SCHEMBL7677302 0.82 PTGS2 (0.62) PTGS2CA12CA2CA9KIF11
SCHEMBL10300269 0.82 PTGS2 (0.62) PTGS2CA12CA2CA9KIF11
SCHEMBL8384830 0.81 PTGS2 (0.68) PTGS2

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
EP-1987004-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-11-05 EP 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 PTGS2 48/4885CA12 3110/4885CA1 1243/4885

“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.