SCHEMBL3472394

SCHEMBL3472394

Cc1cc(-c2cccc(S(C)(=O)=O)c2)ccc1-c1cc(C(C)(C)O)nn1Cc1cccc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.49
▸ SLC16A1 P53985 1/20 0.49
▸ MCTS1 Q9ULC4 1/20 0.49
▸ NR1H2 P55055 16/20 0.48
▸ NR1H3 Q13133 13/20 0.48
▸ RXRA P19793 12/20 0.48
▸ BRD4 O60885 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL3472331 0.93 SLC16A3 (0.50) SLC16A3SLC16A1MCTS1NR1H2NR1H3
SCHEMBL3471603 0.90 SLC16A3 (0.54) SLC16A3SLC16A1MCTS1NR1H2NR1H3
SCHEMBL3472454 0.86 NR1H2 (0.46) SLC16A3SLC16A1MCTS1NR1H2NR1H3
SCHEMBL12979324 0.86 NR1H2 (0.47) SLC16A3SLC16A1MCTS1NR1H2NR1H3
SCHEMBL16328897 0.85 SLC16A3 (0.49) SLC16A3SLC16A1MCTS1NR1H2NR1H3
SCHEMBL12979599 0.84 NR1H2 (0.49) SLC16A3SLC16A1MCTS1NR1H2NR1H3
SCHEMBL2256629 0.82 NR1H2 (0.57) SLC16A3SLC16A1MCTS1NR1H2NR1H3
SCHEMBL3472092 0.80 NR1H2 (0.70) SLC16A3SLC16A1MCTS1NR1H2NR1H3
SCHEMBL3471700 0.78 NR1H2 (0.59) SLC16A3SLC16A1MCTS1NR1H2NR1H3
SCHEMBL2258761 0.77 NR1H2 (0.56) SLC16A3SLC16A1MCTS1NR1H2NR1H3

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
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
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 — — EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — WO 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 SLC16A3 1730/4885SLC16A1 1358/4885MCTS1 4472/4885

“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.

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