SCHEMBL3475217

SCHEMBL3475217

CC(C)(O)c1cc(-c2ccc(-c3cccc4[nH]ccc34)s2)n(-c2ccccc2Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.59
NR1H2 P55055 6/20 0.59
NR1H3 Q13133 6/20 0.59
HPGDS O60760 1/20 0.36
MAPK14 Q16539 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
CARM1 Q86X55 2/20 0.34
HAVCR2 Q8TDQ0 1/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
GOT1 P17174 1/20 0.33
FTO Q9C0B1 1/20 0.32
TGFBR1 P36897 1/20 0.32
RHEB Q15382 1/20 0.32
ROCK2 O75116 1/20 0.31

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
SCHEMBL3473362 0.86 RXRA (0.48) RXRANR1H2NR1H3MAPK14GAA
SCHEMBL3472941 0.85 RXRA (0.64) RXRANR1H2NR1H3TGFBR1
SCHEMBL3473365 0.84 RXRA (0.67) RXRANR1H2NR1H3MAPK14TGFBR1
SCHEMBL3472294 0.82 RXRA (0.64) RXRANR1H2NR1H3MAPTTGFBR1
SCHEMBL3471370 0.82 RXRA (0.62) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL3471745 0.82 RXRA (0.62) RXRANR1H2NR1H3MAPK14HSD17B1
SCHEMBL3471899 0.81 RXRA (0.69) RXRANR1H2NR1H3TGFBR1
SCHEMBL3471068 0.81 RXRA (0.63) RXRANR1H2NR1H3MAPK14TGFBR1
SCHEMBL3477797 0.81 RXRA (0.63) RXRANR1H2NR1H3MAPK14TGFBR1
SCHEMBL14623302 0.81 RXRA (0.62) RXRANR1H2NR1H3TGFBR1

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 9 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
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-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.