SCHEMBL3472044

SCHEMBL3472044

CC(C)(O)c1nn(-c2ccncc2C(F)(F)F)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.51
NR1H3 Q13133 15/20 0.51
RXRA P19793 13/20 0.51
PIK3CA P42336 1/20 0.37
CNR1 P21554 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 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
SCHEMBL3471945 0.93 NR1H2 (0.53) NR1H2NR1H3RXRAPIK3CACNR1
SCHEMBL3470823 0.93 RXRA (0.42) NR1H2NR1H3RXRA
SCHEMBL3471014 0.90 RXRA (0.53) NR1H2NR1H3RXRACNR1HSD17B1
SCHEMBL3471537 0.90 RXRA (0.59) NR1H2NR1H3RXRACNR1
SCHEMBL3472605 0.90 NR1H2 (0.63) NR1H2NR1H3RXRAPIK3CACNR1
SCHEMBL3472960 0.87 NR1H2 (0.55) NR1H2NR1H3RXRAPIK3CACNR1
SCHEMBL3472473 0.85 NR1H2 (0.55) NR1H2NR1H3RXRAPIK3CACNR1
SCHEMBL3471511 0.85 NR1H2 (0.68) NR1H2NR1H3RXRAPIK3CAHSD17B1
SCHEMBL3474961 0.84 NR1H2 (0.54) NR1H2NR1H3RXRAPIK3CAHSD17B1
SCHEMBL3471513 0.84 NR1H2 (0.52) NR1H2NR1H3RXRAPIK3CACNR1

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 8 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
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN 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 NR1H2 1/4885NR1H3 2/4885RXRA 18/4885

“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.