SCHEMBL6032023

SCHEMBL6032023

O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(F)(F)C(O)(F)C(F)(F)F)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 15/20 0.79
NR1H2 P55055 8/20 0.79
RORC P51449 7/20 0.79
RORA P35398 3/20 0.79
RORB Q92753 3/20 0.79
NR1H4 Q96RI1 3/20 0.79
NR1H3 Q13133 2/20 0.79
ALDH1A1 P00352 1/20 0.79
MAPT P10636 1/20 0.79
RXRA P19793 1/20 0.79
SREBF1 P36956 1/20 0.79
PSEN1 P49768 1/20 0.79
PSEN2 P49810 1/20 0.79
NR1I3 Q14994 1/20 0.79
APH1B Q8WW43 1/20 0.79
NCSTN Q92542 1/20 0.79
APH1A Q96BI3 1/20 0.79
PSENEN Q9NZ42 1/20 0.79

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
T091317 SCHEMBL457231 0.88 RORC (1.00) NR1I2NR1H2RORCRORARORB
SCHEMBL3388210 0.86 NR1I2 (0.78) NR1I2NR1H2RORCRORARORB
SCHEMBL13651537 0.86 NR1I2 (1.00) NR1I2NR1H2RORCRORARORB
SCHEMBL16063605 0.84 RORC (0.86) NR1I2NR1H2RORCRORARORB
SCHEMBL12334077 0.75 RORC (0.81) NR1I2NR1H2RORCRORARORB
SCHEMBL14732110 0.75 RORC (1.00) NR1I2NR1H2RORCRORARORB
SCHEMBL5623558 0.74 ESR1 (0.72) NR1I2NR1H2RORCRORARORB
SCHEMBL14732184 0.74 RORC (0.77) NR1I2NR1H2RORCRORARORB
SCHEMBL18235558 0.74 HSD11B1 (1.00) NR1I2NR1H2RORCRORARORB
SCHEMBL16731518 0.74 RORC (0.81) NR1I2NR1H2RORCRORARORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058351-A1 Novel ligands that modulate LXR-type receptors and cosmetic/pharmaceutical applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-03-16 US disclosed
EP-1599447-A1 LIGANDS THAT MODULATE LXR-TYPE RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-11-30 EP disclosed
WO-2004076418-A1 LIGANDS THAT MODULATE LXR-TYPE RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-09-10 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 (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-20060058351-A1 Novel ligands that modulate LXR-type receptors and cosmetic/pharmaceutical applications thereof NR1H2, NR1H3, RXRG NR1I2 10/4885NR1H2 1/4885RORC 56/4885

“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.