SCHEMBL7598091

SCHEMBL7598091

O=S(=O)(Oc1c(C(F)(F)F)cccc1C(F)(F)F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CES1 P23141 1/20 0.36
SLC22A12 Q96S37 4/20 0.33
HSD11B1 P28845 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
IDO1 P14902 2/20 0.32
NFE2L2 Q16236 1/20 0.31
CTSS P25774 1/20 0.31
CA5A P35218 1/20 0.31
LMNA P02545 1/20 0.31
KAT6A Q92794 1/20 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
SCHEMBL7597785 0.90 KMT2A (0.37) KMT2AMEN1CES1SLC22A12HSD11B1
SCHEMBL7597866 0.81 SLC22A12 (0.33) KMT2AMEN1CES1SLC22A12HSD11B1
SCHEMBL6550061 0.78 DRD2 (0.34)
SCHEMBL15453749 0.78 KMT2A (0.37) KMT2AMEN1CES1SLC22A12HSD11B1
SCHEMBL15765824 0.77 KMT2A (0.36) KMT2AMEN1CES1SLC22A12GAA
SCHEMBL15453939 0.76 CTSS (0.38) KMT2AMEN1CES1GAAKDM4E
SCHEMBL2460558 0.76 HSD11B1 (0.39) HSD11B1CA2
SCHEMBL576261 0.74 CA2 (0.47) CA1CA2CA9
SCHEMBL7597749 0.74 CA1 (0.37) HSD11B1CA1CA2CA9
SCHEMBL7601314 0.70 RXRA (0.42) KMT2AMEN1GAAHSD17B10CA1

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-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-11 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-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde BRPF1, PFAS, FLI1 KMT2A 2367/4885MEN1 639/4885CES1 2395/4885

“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.