SCHEMBL3475554

SCHEMBL3475554

CC(C)(C)c1nnc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.52
NR1H2 P55055 3/20 0.52
NR1H3 Q13133 3/20 0.52
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
NPC1 O15118 2/20 0.45
PTGER3 P43115 1/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
STIM1 Q13586 1/20 0.45
ORAI1 Q96D31 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 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
SCHEMBL3471067 0.94 TAS1R3 (0.53) RXRANR1H2NR1H3RAB9AALDH1A1
SCHEMBL3471882 0.90 RXRA (0.52) RXRANR1H2NR1H3RAB9AALDH1A1
SCHEMBL3475242 0.88 RXRA (0.49) RXRANR1H2NR1H3TAS1R3TAS1R1
SCHEMBL3471851 0.87 RXRA (0.49) RXRANR1H2NR1H3RAB9AALDH1A1
SCHEMBL3471471 0.87 RXRA (0.49) RXRANR1H2NR1H3RAB9AALDH1A1
SCHEMBL3474467 0.87 RXRA (0.49) RXRANR1H2NR1H3RAB9AALDH1A1
SCHEMBL15663215 0.86 ALDH1A1 (0.47) RXRANR1H2NR1H3RAB9AALDH1A1
SCHEMBL3473699 0.85 SMN1; SMN2 (0.53) RXRANR1H2NR1H3RAB9AALDH1A1
SCHEMBL3473070 0.84 RXRA (0.50) RXRANR1H2NR1H3RAB9AALDH1A1
SCHEMBL3473591 0.83 RXRA (0.51) RXRANR1H2NR1H3RAB9ANPC1

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
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

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.