SCHEMBL3471067

SCHEMBL3471067

O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
RXRA P19793 3/20 0.52
NR1H2 P55055 3/20 0.52
NR1H3 Q13133 3/20 0.52
MAPT P10636 6/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.48
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
NR3C2 P08235 1/20 0.45
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44

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
SCHEMBL3475554 0.94 RXRA (0.52) TAS1R3TAS1R1TAS1R2RXRANR1H2
SCHEMBL3471882 0.90 RXRA (0.52) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL3475242 0.90 RXRA (0.49) TAS1R3TAS1R1TAS1R2RXRANR1H2
SCHEMBL3474467 0.88 RXRA (0.49) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL3471471 0.88 RXRA (0.49) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL3471851 0.88 RXRA (0.49) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL3473699 0.86 SMN1; SMN2 (0.53) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL3473403 0.85 RXRA (0.50) RXRANR1H2NR1H3MAPTTP53
SCHEMBL3473062 0.84 STIM1 (0.54) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL3473591 0.84 RXRA (0.51) RXRANR1H2NR1H3MAPTNPC1

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 9 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
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN 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
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN 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 TAS1R3 1491/4885TAS1R1 1217/4885TAS1R2 1629/4885

“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.