SCHEMBL3472434

SCHEMBL3472434

CC(C)(O)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)s2)n(-c2ccccc2Cl)n1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.69
NR1H2 P55055 6/20 0.69
NR1H3 Q13133 6/20 0.69
NR3C2 P08235 1/20 0.40
TGFBR1 P36897 1/20 0.39
MARS1 P56192 1/20 0.39
SLC5A1 P13866 2/20 0.37
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
HSD17B2 P37059 1/20 0.35
SLC16A3 O15427 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
CYP2C9 P11712 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
SCHEMBL3472804 0.93 RXRA (0.71) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3471289 0.92 RXRA (0.68) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3473593 0.92 RXRA (0.67) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3472543 0.89 RXRA (0.74) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3473734 0.89 RXRA (0.78) RXRANR1H2NR1H3NR3C2MARS1
SCHEMBL3472025 0.89 RXRA (0.66) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3471293 0.88 RXRA (0.59) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL14624811 0.88 RXRA (0.72) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3473338 0.87 RXRA (0.71) RXRANR1H2NR1H3NR3C2TGFBR1
SCHEMBL3474456 0.87 RXRA (0.66) RXRANR1H2NR1H3NR3C2TGFBR1

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 10 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
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.