SCHEMBL3580753

SCHEMBL3580753

CC(C)(O)c1cn(-c2ccccc2C(F)(F)F)c(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.49
PTGS2 P35354 3/20 0.39
RXRA P19793 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL3573079 0.85 HSD11B1 (0.42) HSD11B1RXRANR1H2NR1H3
SCHEMBL15453343 0.84 HSD11B1 (0.42) HSD11B1PTGS2RXRANR1H2NR1H3
SCHEMBL3579162 0.84 RXRA (0.51) HSD11B1PTGS2RXRANR1H2NR1H3
SCHEMBL3576966 0.83 PTGS2 (0.41) HSD11B1PTGS2RXRANR1H2NR1H3
SCHEMBL3589436 0.83 PTGS2 (0.46) HSD11B1PTGS2RXRANR1H2NR1H3
SCHEMBL3579090 0.82 RXRA (0.52) HSD11B1PTGS2RXRANR1H2NR1H3
SCHEMBL3577242 0.81 RXRA (0.42) HSD11B1PTGS2RXRANR1H2NR1H3
SCHEMBL3583253 0.81 RXRA (0.48) HSD11B1PTGS2RXRANR1H2NR1H3
SCHEMBL3586677 0.80 HSD11B1 (0.42) HSD11B1PTGS2RXRANR1H2NR1H3
SCHEMBL3583401 0.80 RXRA (0.55) HSD11B1PTGS2RXRANR1H2NR1H3

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-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 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-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 HSD11B1 161/4885PTGS2 400/4885RXRA 17/4885

“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.