SCHEMBL3473871

SCHEMBL3473871

CC(C)(O)c1nn(-c2ccccc2OC(F)(F)F)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)c1Br

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.53
NR1H2 P55055 13/20 0.53
NR1H3 Q13133 13/20 0.53
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
SCN9A Q15858 2/20 0.34
CNR1 P21554 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL3471920 0.91 RXRA (0.56) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL3474365 0.88 NR1H2 (0.59) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL3473610 0.87 NR1H2 (0.64) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL3471879 0.85 NR1H2 (0.53) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL3471926 0.85 RXRA (0.73) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL3475132 0.85 NR1H2 (0.72) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL3472959 0.85 NR1H2 (0.57) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL15641675 0.84 NR1H2 (0.51) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL3473105 0.83 NR1H2 (0.61) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL3471225 0.83 RXRA (0.56) RXRANR1H2NR1H3HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US claimed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.