SCHEMBL16455708

SCHEMBL16455708

Cc1cc(C(F)(F)F)c(-c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.58
KIF11 P52732 1/20 0.52
PTGS1 P23219 5/20 0.50
ABCC4 O15439 1/20 0.50
ABCB11 O95342 1/20 0.50
PDE4D Q08499 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAP4K4 O95819 1/20 0.50
PIK3CA P42336 1/20 0.50
KCNH2 Q12809 1/20 0.50
MINK1 Q8N4C8 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
NR1H2 P55055 1/20 0.49
IDO1 P14902 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
SCHEMBL17808228 0.86 MAP4K4 (0.54) PTGS2KIF11PTGS1MAP4K4PIK3CA
SCHEMBL24363062 0.85 PTGS2 (0.67) PTGS2KIF11PTGS1ABCC4ABCB11
SCHEMBL17813809 0.80 POLB (0.47) PTGS2IDO1
SCHEMBL16454400 0.78 KDM4E (0.46)
SCHEMBL22795814 0.78 PDE3B (0.51) PTGS2PIK3CAIDO1
SCHEMBL16455583 0.78 MAPT (0.46) NR1H2
SCHEMBL16454402 0.75 CYP11B2 (0.50) KIF11PIK3CA
SCHEMBL17394027 0.75 GLA (0.56) PTGS2KIF11MAP4K4PIK3CAKCNH2
SCHEMBL6721511 0.73 PTGS2 (1.00) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL22796288 0.73 AKR1C3 (0.52) PIK3CA

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-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 US disclosed
WO-2015018432-A1 PYRROLONE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 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-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 PTGS2 1278/4885KIF11 3376/4885PTGS1 537/4885

“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.