SCHEMBL1179571

SCHEMBL1179571

CCOC(=O)c1cccc(-c2cc3cc(OCc4ccccc4)ccc3n2C(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.48
NR1H3 Q13133 2/20 0.45
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
SRD5A2 P31213 1/20 0.43
PPARG P37231 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3679364 0.89 MEN1 (0.48) MEN1HSP90AA1KMT2ASRD5A2PPARG
SCHEMBL3680663 0.87 MEN1 (0.44) MEN1HSP90AA1KMT2ASRD5A2PPARG
SCHEMBL1179291 0.85 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL3035408 0.84 SRD5A2 (0.54) NR1H2MEN1HSP90AA1KMT2ASRD5A2
SCHEMBL1180251 0.79 NR1H4 (0.58)
SCHEMBL3911336 0.76 MRGPRX4 (0.62) MEN1HSP90AA1KMT2ASRD5A2PPARG
SCHEMBL2771195 0.75 PPARG (0.57) PPARGMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12260279 0.75 SRD5A2 (0.52) NR1H2NR1H3MEN1KMT2ASRD5A2
SCHEMBL1180319 0.75 SRD5A2 (0.52) NR1H2NR1H3MEN1KMT2ASRD5A2
SCHEMBL17355643 0.74 SRD5A2 (0.51) NR1H2NR1H3MEN1KMT2ASRD5A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 US disclosed
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 US disclosed
EP-2173174-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-14 EP disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 WO disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 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-20110034507-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 NR1H2 3/4885NR1H3 2/4885MEN1 4754/4885

“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.