SCHEMBL19684776

SCHEMBL19684776

CCS(=O)(=O)c1cc(NC)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
S1PR1 P21453 2/20 0.35
CYP2C9 P11712 1/20 0.34
RORC P51449 6/20 0.34
CNR2 P34972 1/20 0.33
AGPAT2 O15120 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL22683323 0.88 SMN1; SMN2 (0.39) CYP2C9RORCAGPAT2
SCHEMBL17494853 0.87 DDR1 (0.38) S1PR1RORCCNR2AGPAT2
SCHEMBL17824513 0.86 CA12 (0.36) PTGS2PTGS1S1PR1CNR2CA12
SCHEMBL21925099 0.86 DDR1 (0.40) CNR2AGPAT2
SCHEMBL30958299 0.86 DDR1 (0.37) PTGS2PTGS1S1PR1CNR2CA12
SCHEMBL17494868 0.86 DDR1 (0.37) PTGS2PTGS1S1PR1CNR2CA12
SCHEMBL20547541 0.86 CNR2 (0.34) S1PR1CYP2C9RORCCNR2CA12
SCHEMBL30958307 0.86 CNR2 (0.34) S1PR1CYP2C9RORCCNR2CA12
SCHEMBL20632976 0.85 LRRK2 (0.35) PTGS2PTGS1S1PR1RORCCNR2
SCHEMBL23961249 0.85 USP1 (0.43) PTGS2PTGS1CYP2C9CNR2CA12

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-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-04 US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 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 (2 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-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE PTGS2 640/4885PTGS1 551/4885S1PR1 2300/4885
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE PTGS2 640/4885PTGS1 551/4885S1PR1 2300/4885

“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.