SCHEMBL3471650

SCHEMBL3471650

CC(C)(O)c1nn(-c2cnccc2C(F)(F)F)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 17/20 0.46
NR1H2 P55055 17/20 0.46
RXRA P19793 12/20 0.46
S1PR1 P21453 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
SCHEMBL3475149 0.91 NR1H2 (0.41) NR1H3NR1H2RXRA
SCHEMBL3471945 0.89 NR1H2 (0.53) NR1H3NR1H2RXRA
SCHEMBL15690798 0.88 NR1H2 (0.40) NR1H3NR1H2RXRAS1PR1
SCHEMBL3470763 0.86 NR1H2 (0.44) NR1H3NR1H2RXRAS1PR1
SCHEMBL3472044 0.82 NR1H2 (0.51) NR1H3NR1H2RXRA
SCHEMBL3471006 0.82 NR1H2 (0.58) NR1H3NR1H2RXRA
SCHEMBL3474961 0.81 NR1H2 (0.54) NR1H3NR1H2RXRAS1PR1
SCHEMBL3471813 0.80 NR1H2 (0.54) NR1H3NR1H2RXRA
SCHEMBL2258802 0.80 NR1H2 (0.52) NR1H3NR1H2RXRA
SCHEMBL3472789 0.79 NR1H2 (0.50) NR1H3NR1H2RXRA

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 NR1H3 2/4885NR1H2 1/4885RXRA 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.