SCHEMBL3471937

SCHEMBL3471937

Cc1cc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)sc1-c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.78
NR1H2 P55055 12/20 0.78
NR1H3 Q13133 12/20 0.78
SLC16A3 O15427 2/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
KCNH2 Q12809 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
CNR1 P21554 1/20 0.35
MAPK14 Q16539 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL3471642 0.94 RXRA (0.77) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471682 0.90 RXRA (0.77) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471792 0.88 RXRA (0.79) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471678 0.88 RXRA (1.00) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471761 0.86 RXRA (0.75) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471366 0.85 NR1H2 (0.71) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473245 0.85 RXRA (0.74) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473361 0.84 NR1H2 (0.62) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473429 0.84 NR1H2 (0.78) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471447 0.83 NR1H2 (0.79) RXRANR1H2NR1H3SLC16A3SLC16A1

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 8 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 claimed
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.