SCHEMBL3474034

SCHEMBL3474034

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)n(Cc4ccc(Cl)s4)n3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.49
NR1H3 Q13133 13/20 0.49
RXRA P19793 9/20 0.49
PTGS2 P35354 1/20 0.40
CNR1 P21554 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
PIK3CA P42336 1/20 0.38
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
FUBP1 Q96AE4 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
FLT3 P36888 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
SCHEMBL3473342 0.85 RXRA (0.67) NR1H2NR1H3RXRAPTGS2CNR1
SCHEMBL3473280 0.81 NR1H2 (0.49) NR1H2NR1H3RXRALOXL2PIK3CA
SCHEMBL3474109 0.81 NR1H2 (0.50) NR1H2NR1H3RXRALOXL2PIK3CA
SCHEMBL3470819 0.80 NR1H2 (0.74) NR1H2NR1H3RXRAPTGS2LOXL2
SCHEMBL3475011 0.80 PDE4B (0.37) PTGS2FUBP1
SCHEMBL3470793 0.80 NR1H2 (0.47) NR1H2NR1H3RXRAPTGS2LOXL2
SCHEMBL3473037 0.75 NR1H2 (0.56) NR1H2NR1H3RXRAPTGS2LOXL2
SCHEMBL4630196 0.72 NR1H2 (0.46) NR1H2NR1H3RXRAPTGS2CNR1
SCHEMBL3472464 0.71 NR1H2 (0.72) NR1H2NR1H3RXRAPTGS2LOXL2
SCHEMBL3471854 0.70 NR1H2 (0.52) NR1H2NR1H3RXRACNR1PIK3CA

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 7 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 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 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.