SCHEMBL3473093

SCHEMBL3473093

Cc1ccc(F)c(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.59
NR1H2 P55055 6/20 0.59
NR1H3 Q13133 6/20 0.59
TGFBR1 P36897 1/20 0.35
MAPK14 Q16539 1/20 0.34
NR3C2 P08235 1/20 0.32
SLC16A3 O15427 4/20 0.32
SLC16A1 P53985 3/20 0.32
PTGS2 P35354 2/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PTGS1 P23219 1/20 0.31
KCNN4 O15554 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3472742 0.89 RXRA (0.65) RXRANR1H2NR1H3TGFBR1MAPK14
SCHEMBL27716988 0.89 RXRA (0.56) RXRANR1H2NR1H3TGFBR1NR3C2
SCHEMBL3471050 0.88 RXRA (0.59) RXRANR1H2NR1H3TGFBR1MAPK14
SCHEMBL3472212 0.87 RXRA (0.66) RXRANR1H2NR1H3TGFBR1MAPK14
SCHEMBL3472664 0.85 RXRA (0.68) RXRANR1H2NR1H3TGFBR1NR3C2
SCHEMBL3473580 0.85 RXRA (0.68) RXRANR1H2NR1H3TGFBR1NR3C2
SCHEMBL3473092 0.84 RXRA (0.59) RXRANR1H2NR1H3TGFBR1MAPK14
SCHEMBL3471068 0.84 RXRA (0.63) RXRANR1H2NR1H3TGFBR1MAPK14
SCHEMBL3471871 0.83 RXRA (0.71) RXRANR1H2NR1H3TGFBR1NR3C2
SCHEMBL3472620 0.83 RXRA (0.60) RXRANR1H2NR1H3TGFBR1NR3C2

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.