SCHEMBL3473530

SCHEMBL3473530

COC(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.66
NR1H2 P55055 4/20 0.66
NR1H3 Q13133 4/20 0.66
MAPT P10636 8/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NR3C2 P08235 1/20 0.47
POLB P06746 2/20 0.46
MARS1 P56192 1/20 0.46
TP53 P04637 1/20 0.45
SDHB P21912 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
THRB P10828 1/20 0.44
PDK2 Q15119 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC5A1 P13866 2/20 0.43

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
SCHEMBL3472322 0.87 MAPT (0.55) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL2256753 0.85 NR1H4 (0.49) RXRANR1H2NR1H3POLBSDHB
SCHEMBL3471900 0.82 PDK2 (0.45) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3473875 0.81 RXRA (0.55) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3470862 0.81 RXRA (0.60) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3471255 0.80 MAPT (0.58) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3472956 0.80 RXRA (0.62) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3474848 0.80 RXRA (0.62) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3474679 0.80 RXRA (1.00) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3473836 0.80 RXRA (0.68) RXRANR1H2NR1H3NR3C2PTGS2

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 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.