Sugi Predict

Sugi Predict / Compounds / SCHEMBL22326111

SCHEMBL22326111

SCHEMBL22326111

Nc1ccc(C(c2ccc(N)c(F)c2)C(F)(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PDE2A O00408 2/20 0.34
▸ SHBG P04278 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ HTT P42858 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
SCHEMBL18999717 0.83 ALDH1A1 (0.46) ALDH1A1ESR1ESR2CA12CA1
SCHEMBL8280036 0.80 ALDH1A1 (0.43) ALDH1A1ESR1ESR2CA12CA1
SCHEMBL23005780 0.79 ESR1 (0.50) ALDH1A1ESR1ESR2SHBGGAA
SCHEMBL1597071 0.78 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA4
SCHEMBL22326124 0.78 CYP3A4 (0.45) ALDH1A1ESR1ESR2GAAALOX12
SCHEMBL22326115 0.78 ESR1 (0.43) ALDH1A1ESR1ESR2CA12CA1
SCHEMBL22326134 0.77 ESR1 (0.52) ESR1ESR2SHBG
SCHEMBL21138713 0.76 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA4
SCHEMBL28024757 0.76 ESR1 (0.39) ESR1ESR2HDAC1HDAC6
SCHEMBL30428859 0.75 ALDH1A1 (0.59) ALDH1A1ESR1ESR2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020162408-A1 METHOD FOR PRODUCING 1,1,1-TRIFLUORO-2,2-BISARYLETHANE, AND 1,1,1-TRIFLUORO-2,2-BISARYLETHANE セントラル硝子株式会社 2020-08-13 — — WO claimed
US-12435185-B2 Method for producing 1,1,1-trifluoro-2,2-bisarylethane, and 1,1,1-trifluoro-2,2-bisarylethane CENTRAL GLASS COMPANY, LIMITED (JP) 2025-10-07 — — US disclosed
US-20220106444-A1 Method for Producing 1,1,1-Trifluoro-2,2-Bisarylethane, and 1,1,1-Trifluoro-2,2-Bisarylethane CENTRAL GLASS COMPANY, LIMITED (JP) 2022-04-07 — — US disclosed
WO-2020162408-A1 METHOD FOR PRODUCING 1,1,1-TRIFLUORO-2,2-BISARYLETHANE, AND 1,1,1-TRIFLUORO-2,2-BISARYLETHANE セントラル硝子株式会社 2020-08-13 — — WO disclosed
WO-2020162408-A1 METHOD FOR PRODUCING 1,1,1-TRIFLUORO-2,2-BISARYLETHANE, AND 1,1,1-TRIFLUORO-2,2-BISARYLETHANE セントラル硝子株式会社 2020-08-13 — — WO 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 (2 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-20220106444-A1 Method for Producing 1,1,1-Trifluoro-2,2-Bisarylethane, and 1,1,1-Trifluoro-2,2-Bisarylethane NAF1, FXR1, AFF1 ALDH1A1 624/4885ESR1 4737/4885ESR2 3744/4885
US-12435185-B2 Method for producing 1,1,1-trifluoro-2,2-bisarylethane, and 1,1,1-trifluoro-2,2-bisarylethane NAF1, FXR1, AFF1 ALDH1A1 624/4885ESR1 4737/4885ESR2 3744/4885

“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.