SCHEMBL3573079

SCHEMBL3573079

CC(C)(O)c1cn(-c2ccccc2-c2ccc(CO)cc2)c(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.42
RXRA P19793 5/20 0.39
NR1H2 P55055 5/20 0.39
NR1H3 Q13133 5/20 0.39
SLC13A5 Q86YT5 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL3579087 0.89 RXRA (0.48) HSD11B1RXRANR1H2NR1H3
SCHEMBL3580753 0.85 HSD11B1 (0.49) HSD11B1RXRANR1H2NR1H3
SCHEMBL3575840 0.85 RXRA (0.51) RXRANR1H2NR1H3
SCHEMBL3576966 0.83 PTGS2 (0.41) HSD11B1RXRANR1H2NR1H3TRPV1
SCHEMBL3579162 0.82 RXRA (0.51) HSD11B1RXRANR1H2NR1H3
SCHEMBL3579175 0.82 RXRA (0.49) HSD11B1RXRANR1H2NR1H3
SCHEMBL3583347 0.81 RXRA (0.54) HSD11B1RXRANR1H2NR1H3
SCHEMBL3575942 0.81 RXRA (0.49) HSD11B1RXRANR1H2NR1H3
SCHEMBL3577831 0.80 NR1H2 (0.46) HSD11B1RXRANR1H2NR1H3
SCHEMBL3576604 0.79 HSD11B1 (0.50) HSD11B1RXRANR1H2NR1H3TRPV1

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 161/4885RXRA 17/4885NR1H2 1/4885

“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.