SCHEMBL6000987

SCHEMBL6000987

O=S(=O)(Nc1cccc(Oc2ccc(Cl)cc2Cl)c1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.55
PTGS2 P35354 3/20 0.55
PPARG P37231 4/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
CA2 P00918 1/20 0.46
ACLY P53396 1/20 0.45
PTPN1 P18031 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
BRAF P15056 3/20 0.43
CYP3A4 P08684 1/20 0.43
STK39 Q9UEW8 1/20 0.43
PGR P06401 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
SCHEMBL6001019 0.85 PTGS1 (0.64) PTGS1PTGS2PPARGCA2PTPN1
SCHEMBL6000980 0.78 PTPN1 (0.63) PTGS1PTGS2CA2ACLYPTPN1
SCHEMBL4976180 0.76 PTGS1 (0.73) PTGS1PTGS2CA2PGR
SCHEMBL11278728 0.74 CYSLTR2 (0.46) PTGS1PTGS2CA2PTPN1CYSLTR2
SCHEMBL14689917 0.74 PTGS1 (0.63) PTGS1PTGS2CA2PTPN1CYSLTR2
SCHEMBL6000356 0.71 PTPN1 (0.81) CA2PTPN1PGR
SCHEMBL18297880 0.71 CYSLTR2 (0.50) PTGS1PTGS2CA2PTPN1CYSLTR2
SCHEMBL6526296 0.70 CYSLTR2 (0.58) PTGS1PTGS2CA2PTPN1CYSLTR2
SCHEMBL6477002 0.70 FABP3 (0.43) CYSLTR2CYSLTR1
SCHEMBL4380993 0.70 PTGS1 (1.00) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281695-A1 Control of parasites in animals by N-[(phenyloxy)phenyl]-1,1,1-trifluoromethanesulfonamide and N-[(phenylsulfanyl)phenyl]-1,1,1-trifluoromethanesulfonamide derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2006-12-14 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 (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-20060281695-A1 Control of parasites in animals by N-[(phenyloxy)phenyl]-1,1,1-trifluoromethanesulfonamide and N-[(phenylsulfanyl)phenyl]-1,1,1-trifluoromethanesulfonamide derivatives ELANE, CTRL, PIGO PTGS1 296/4885PTGS2 1435/4885PPARG 2274/4885

“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.