SCHEMBL6855029

SCHEMBL6855029

O=Cc1cc(C(F)(F)F)c(Oc2ccc(O)c(S(=O)(=O)c3ccccc3)c2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
POLB P06746 2/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
THRA P10827 3/20 0.37
THRB P10828 3/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AR P10275 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
HSD11B1 P28845 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL6853063 0.90 THRA (0.35) GAAPOLBGFERTHRATHRB
SCHEMBL6849582 0.88 THRB (0.50) GAAPOLBGFERALDH1A1KDM4E
SCHEMBL6849578 0.88 THRB (0.50) GAAPOLBGFERALDH1A1KDM4E
SCHEMBL6852946 0.83 POLB (0.48) GAAPOLBGFERTHRATHRB
SCHEMBL6852856 0.81 THRA (0.49) GAAPOLBGFERTHRATHRB
SCHEMBL6854929 0.80 THRB (0.48) THRATHRBHTT
SCHEMBL6854934 0.80 THRB (0.48) THRATHRBHTT
SCHEMBL6849370 0.74 THRB (0.49) POLBTHRATHRBARPGR
SCHEMBL6854434 0.73 THRA (0.48) POLBTHRATHRBPCNA
SCHEMBL6852826 0.71 POLB (0.45) GAAPOLBGFERALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777442-B2 Diphenyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 2004-08-17 US disclosed
US-20030105078-A1 Diphenyl derivatives BAYER AKTIENGESSELLSCHAFT (DE) 2003-06-05 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-20030105078-A1 Diphenyl derivatives DPP4, DPP3, DPM1 GAA 2118/4885POLB 1714/4885GFER 3143/4885

“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.