SCHEMBL6000980

SCHEMBL6000980

O=S(=O)(Nc1cccc(Oc2ccccc2)c1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.63
CA2 P00918 3/20 0.55
CYSLTR2 Q9NS75 1/20 0.54
CYSLTR1 Q9Y271 1/20 0.54
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
ACLY P53396 1/20 0.49
PGR P06401 4/20 0.49
NR3C1 P04150 1/20 0.49
AR P10275 1/20 0.49
ESR2 Q92731 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL6000356 0.86 PTPN1 (0.81) PTPN1CA2PGRNR3C1AR
SCHEMBL6001500 0.85 PTPN1 (0.86) PTPN1CA2PTGS1PTGS2PGR
SCHEMBL14689917 0.83 PTGS1 (0.63) PTPN1CA2CYSLTR2CYSLTR1PTGS1
SCHEMBL18297880 0.79 CYSLTR2 (0.50) PTPN1CA2CYSLTR2CYSLTR1PTGS1
SCHEMBL216185 0.79 PTPN1 (0.62) PTPN1CA2PTGS1PTGS2MEN1
SCHEMBL6526296 0.79 CYSLTR2 (0.58) PTPN1CA2CYSLTR2CYSLTR1PTGS1
SCHEMBL7262769 0.79 ACLY (0.56) CA2ACLYPGRMEN1KMT2A
SCHEMBL28178583 0.79 PGR (0.72) ACLYPGRNR3C1MEN1KMT2A
SCHEMBL6000987 0.78 PTGS1 (0.55) PTPN1CA2CYSLTR2CYSLTR1PTGS1
SCHEMBL6475739 0.78 PTPN1 (0.48) PTPN1CA2CYSLTR2CYSLTR1PTGS1

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 PTPN1 509/4885CA2 3839/4885CYSLTR2 1565/4885

“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.