SCHEMBL6001677

SCHEMBL6001677

O=S(=O)(Nc1ccc(Cl)cc1[S+]([O-])c1ccccc1Cl)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.48
PTGS1 P23219 8/20 0.43
PTGS2 P35354 7/20 0.43
CA1 P00915 3/20 0.40
SLC22A12 Q96S37 2/20 0.38
ERBB2 P04626 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL11330348 0.76 CA2 (0.67) CA2PTGS1PTGS2CA1CNR2
SCHEMBL6000979 0.74 CA2 (0.51) CA2PTGS1PTGS2CA1SLC22A12
SCHEMBL4965379 0.72 CA2 (0.49) CA2PTGS1PTGS2CA1SLC22A12
SCHEMBL10934176 0.72 PTGS1 (0.64) CA2PTGS1PTGS2CA1SLC22A12
SCHEMBL12190934 0.69 LMNA (0.56)
SCHEMBL12032534 0.68 ERBB2 (0.58) ERBB2HSP90AA1HSP90AB1
SCHEMBL2079574 0.68 CA2 (0.49) CA2PTGS1PTGS2CA1SLC22A12
SCHEMBL2080356 0.68 LMNA (0.61)
SCHEMBL6001650 0.67 PTGS1 (0.67) CA2PTGS1PTGS2
SCHEMBL4720551 0.67 GAA (0.47) CA2PTGS1PTGS2KDM4E

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 CA2 3839/4885PTGS1 296/4885PTGS2 1435/4885

“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.