SCHEMBL3471854

SCHEMBL3471854

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)n(C(=O)c4cccs4)n3)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.52
NR1H3 Q13133 12/20 0.52
RXRA P19793 6/20 0.52
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PIK3CA P42336 1/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3473925 0.85 RXRA (0.62) NR1H2NR1H3RXRAHSD17B1HSD17B2
SCHEMBL4630196 0.84 NR1H2 (0.46) NR1H2NR1H3RXRAHSD17B1HSD17B2
SCHEMBL3473037 0.75 NR1H2 (0.56) NR1H2NR1H3RXRAHSD17B1HSD17B2
SCHEMBL3470793 0.70 NR1H2 (0.47) NR1H2NR1H3RXRAPIK3CAMAPT
SCHEMBL3474109 0.70 NR1H2 (0.50) NR1H2NR1H3RXRAPIK3CAKCNH2
SCHEMBL3474034 0.70 NR1H2 (0.49) NR1H2NR1H3RXRAHSD17B1HSD17B2
SCHEMBL3474917 0.69 NR1H2 (0.78) NR1H2NR1H3RXRAHSD17B1HSD17B2
SCHEMBL3471844 0.69 NR1H2 (0.78) NR1H2NR1H3RXRAHSD17B1HSD17B2
SCHEMBL3470819 0.69 NR1H2 (0.74) NR1H2NR1H3RXRAHSD17B1HSD17B2
SCHEMBL3473486 0.69 NR1H2 (1.00) NR1H2NR1H3RXRAPIK3CA

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 2 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-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US 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.