SCHEMBL3474337

SCHEMBL3474337

COc1ccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.62
NR1H2 P55055 6/20 0.62
NR1H3 Q13133 6/20 0.62
PTGS2 P35354 2/20 0.38
SLC16A3 O15427 3/20 0.37
SLC16A1 P53985 2/20 0.37
HSD17B2 P37059 2/20 0.36
TGFBR1 P36897 1/20 0.35
HSD17B1 P14061 1/20 0.35
FLT3 P36888 1/20 0.35
NR3C2 P08235 1/20 0.35
HTR7 P34969 1/20 0.34
MARS1 P56192 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL3472033 0.91 RXRA (0.66) RXRANR1H2NR1H3PTGS2SLC16A3
SCHEMBL3473890 0.91 RXRA (0.66) RXRANR1H2NR1H3PTGS2SLC16A3
SCHEMBL3473580 0.89 RXRA (0.68) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473059 0.89 RXRA (0.61) RXRANR1H2NR1H3PTGS2SLC16A3
SCHEMBL3471288 0.88 RXRA (0.57) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472664 0.87 RXRA (0.68) RXRANR1H2NR1H3PTGS2SLC16A3
SCHEMBL3471830 0.86 RXRA (0.69) RXRANR1H2NR1H3PTGS2SLC16A3
SCHEMBL3473862 0.86 RXRA (0.57) RXRANR1H2NR1H3PTGS2SLC16A3
SCHEMBL3473130 0.86 RXRA (0.66) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472212 0.85 RXRA (0.66) RXRANR1H2NR1H3SLC16A3SLC16A1

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
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
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.