SCHEMBL1754524

SCHEMBL1754524

COc1c(OCc2ccc(C(=O)O)o2)cccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.62
NR1H3 Q13133 14/20 0.62
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1754528 0.97 NR1H2 (0.59) NR1H2NR1H3ALDH1A1SMN1; SMN2MEN1
SCHEMBL1754527 0.97 NR1H2 (0.59) NR1H2NR1H3ALDH1A1SMN1; SMN2MEN1
SCHEMBL1754538 0.97 NR1H2 (0.59) NR1H2NR1H3ALDH1A1SMN1; SMN2MEN1
SCHEMBL1754539 0.96 NR1H2 (0.57) NR1H2NR1H3ALDH1A1SMN1; SMN2MEN1
SCHEMBL1754525 0.95 NR1H2 (0.56) NR1H2NR1H3ALDH1A1SMN1; SMN2MEN1
SCHEMBL1754542 0.95 NR1H2 (0.56) NR1H2NR1H3ALDH1A1SMN1; SMN2MEN1
SCHEMBL11997943 0.94 NR1H2 (0.55) NR1H2NR1H3ALDH1A1SMN1; SMN2MEN1
SCHEMBL1754359 0.92 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL1754439 0.92 NR1H2 (0.60) NR1H2NR1H3ALDH1A1SMN1; SMN2MEN1
SCHEMBL1753980 0.91 NR1H2 (0.71) 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 6 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

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-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885ALDH1A1 3768/4885

“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.