SCHEMBL1753979

SCHEMBL1753979

COc1c(OCc2cccc(C(=O)O)c2)cccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.59
NR1H3 Q13133 14/20 0.59
MRGPRX4 Q96LA9 2/20 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
SCHEMBL1754454 1.00 NR1H2 (0.59) NR1H2NR1H3MRGPRX4
SCHEMBL1754643 0.94 NR1H2 (0.58) NR1H2NR1H3
SCHEMBL1754700 0.94 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL1754689 0.94 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL1754556 0.93 NR1H2 (0.58) NR1H2NR1H3
SCHEMBL1754022 0.93 NR1H2 (0.65) NR1H2NR1H3MRGPRX4
SCHEMBL1754344 0.93 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL13575917 0.92 NR1H2 (0.66) NR1H2NR1H3MRGPRX4
SCHEMBL1754333 0.91 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL1754647 0.90 NR1H2 (0.59) NR1H2NR1H3

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-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 US disclosed
US-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 US disclosed
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2012-08-23 US disclosed
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2012-08-23 US disclosed
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed
US-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 US disclosed
US-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 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 (2 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-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885MRGPRX4 463/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885MRGPRX4 463/4885

“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.