SCHEMBL6785116

SCHEMBL6785116

Cc1c(O)ccc(C(F)(F)F)c1S

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.35
KIF11 P52732 1/20 0.32
AR P10275 3/20 0.31
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31

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
SCHEMBL10437219 0.85 TMPRSS4 (0.36) TRPA1ATMTMPRSS4KIF11AR
SCHEMBL23226966 0.75 TMPRSS4 (0.41) TRPA1ATMTMPRSS4KIF11AR
SCHEMBL17274386 0.75 NOTUM (0.35)
SCHEMBL27624595 0.74 TRPA1 (0.42) TRPA1ATM
SCHEMBL8621898 0.73 TAS2R14 (0.44)
SCHEMBL9367573 0.72 KIF11 (0.33) TMPRSS4KIF11HSD17B1HSD17B2
SCHEMBL27831995 0.71 HTT (0.36) TRPA1ATMTMPRSS4KIF11AR
SCHEMBL28037507 0.71 AR (0.51) AR
SCHEMBL11318062 0.70 TRPA1 (0.44) TRPA1ATMAR
SCHEMBL8615552 0.70 CFTR (0.45) ATM

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-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 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-20040092754-A1 Derivatives of 4-(trifluoromethyl)-phenol and 4-(trifluoromethylphenyl)-2-(tetrahydropyranyl) ether and method for producing the same EPX, CYP4X1, EPHX2 TRPA1 3097/4885ATM 3726/4885TMPRSS4 2846/4885

“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.