SCHEMBL3478049

SCHEMBL3478049

CCS(=O)(=O)C(C)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2cccnc2C(F)(F)F)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.55
NR1H3 Q13133 13/20 0.55
RXRA P19793 8/20 0.55
LOXL2 Q9Y4K0 1/20 0.38
PIK3CA P42336 1/20 0.36
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
KCNH2 Q12809 3/20 0.35
FLT3 P36888 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
SCHEMBL3473329 0.82 RXRA (0.64) NR1H2NR1H3RXRALOXL2PIK3CA
SCHEMBL3472604 0.82 NR1H2 (0.70) NR1H2NR1H3RXRALOXL2PIK3CA
SCHEMBL15641675 0.74 NR1H2 (0.51) NR1H2NR1H3RXRALOXL2PIK3CA
SCHEMBL3472473 0.73 NR1H2 (0.55) NR1H2NR1H3RXRALOXL2PIK3CA
SCHEMBL3471229 0.73 NR1H2 (0.77) NR1H2NR1H3RXRAPIK3CAFLT3
SCHEMBL3471948 0.72 NR1H2 (0.73) NR1H2NR1H3RXRALOXL2RORA
SCHEMBL3471825 0.72 NR1H2 (0.74) NR1H2NR1H3RXRALOXL2KCNH2
SCHEMBL3473140 0.72 NR1H2 (0.70) NR1H2NR1H3RXRALOXL2RORA
SCHEMBL3474141 0.72 RXRA (0.87) NR1H2NR1H3RXRA
SCHEMBL3475053 0.71 RXRA (0.81) NR1H2NR1H3RXRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.