SCHEMBL5727488

SCHEMBL5727488

Cc1c(-c2nc(-c3c(F)cccc3Cl)nn2C)csc1-c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.39
PTGS1 P23219 1/20 0.39
TDP2 O95551 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP1A2 P05177 2/20 0.32
GRM5 P41594 1/20 0.32
RORC P51449 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
TRPM8 Q7Z2W7 3/20 0.32
SCN5A Q14524 1/20 0.31
HSD11B1 P28845 1/20 0.31
MPI P34949 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
CETP P11597 1/20 0.30
EIF4E P06730 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL5727257 0.93 PTGES (0.39) PTGESPTGS1TDP2PTGS2CYP1A2
SCHEMBL5727349 0.90 PTGES (0.43) PTGESPTGS1GRM5HSD11B1MPI
SCHEMBL5727724 0.90 TDP2 (0.39) PTGESPTGS1TDP2PTGS2TRPM8
SCHEMBL5727153 0.86 TDP2 (0.39) PTGESPTGS1TDP2PTGS2TRPM8
SCHEMBL5727713 0.86 HSD11B1 (0.44) PTGESPTGS1HSD11B1
SCHEMBL5727314 0.86 P2RX7 (0.36) PTGESPTGS1PTGS2GRM5HSD11B1
SCHEMBL5726771 0.86 HSD11B1 (0.36) PTGESPTGS1PTGS2HSD11B1EIF4E
SCHEMBL5727468 0.85 PTGES (0.40) PTGESPTGS1TDP2PTGS2CYP1A2
SCHEMBL5725984 0.85 TDP2 (0.39) PTGESPTGS1TDP2PTGS2TRPM8
SCHEMBL5727072 0.84 HSD11B1 (0.39) PTGESPTGS1HSD11B1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425278-B1 INSECTICIDAL 3-(2,6-DISUBSTITUTED PHENYL)-5- 4- OR 5-ARYLTHIEN-2- OR -3-YL|-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2006-12-20 EP disclosed
US-7056940-B2 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-2-yl]-1,2,4-triazoles DOW AGROSCIENCES LLC (US) 2006-06-06 US disclosed
US-6949576-B2 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles DOW AGROSCIENCES LLC (US) 2005-09-27 US disclosed
US-20040171661-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-2-yl]-1,2,4-triazoles HEGDE VIDYADHAR BABU (US) 2004-09-02 US disclosed
US-6770665-B2 TRIAZOLE COMPOUNDS HAVING A 2,6-DISUBSTITUTED-PHENYL GROUP IN THE 3-POSITION, ARYLTHIEN-2- OR -3-YL IN THE 5-POSITION AND AN ALKYL GROUP IN THE 1-POSITION ARE EFFECTIVE IN CONTROLLING LEPIDOPTERA, COLEOPTERA, MITES AND OTHER SUCKING PESTS. DOW AGROSCIENCES LLC 2004-08-03 US disclosed
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles HEGDE VIDYADHAR BABU (US) 2004-04-15 US disclosed
US-20030134748-A1 Insecticial 3-(2,6-disubstituted phenyl)-5-[4- or 5-arylthien-2- or -3-yl]-1,2,4-triazoles DOW AGROSCIENCES LLC 2003-07-17 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 (3 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-20040171661-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-2-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 PTGES 2008/4885PTGS1 2711/4885TDP2 2312/4885
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 PTGES 2070/4885PTGS1 2743/4885TDP2 2641/4885
US-20030134748-A1 Insecticial 3-(2,6-disubstituted phenyl)-5-[4- or 5-arylthien-2- or -3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 PTGES 2084/4885PTGS1 2709/4885TDP2 2308/4885

“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.