SCHEMBL1179233

SCHEMBL1179233

COC(=O)c1cccc(-c2ccc(O)c(N)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.66
CA12 O43570 3/20 0.63
CA9 Q16790 3/20 0.63
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
ALOX15 P16050 2/20 0.53
ALOX12 P18054 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
HSP90AA1 P07900 1/20 0.53
GAA P10253 1/20 0.53
CA7 P43166 1/20 0.51

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
SCHEMBL67941 0.83 CA12 (0.68) ERN1CA12CA9CA1CA2
SCHEMBL4701077 0.83 ERN1 (0.68) ERN1CA12CA9CA1CA2
SCHEMBL1660752 0.83 CA12 (0.68) ERN1CA12CA9CA1CA2
SCHEMBL6434807 0.82 ERN1 (0.61) ERN1CA12CA9CA1CA2
SCHEMBL24412 0.82 CA12 (0.69) ERN1CA12CA9CA1CA2
SCHEMBL29357340 0.82 CA12 (0.69) ERN1CA12CA9CA1CA2
SCHEMBL27715902 0.82 CA12 (0.71) ERN1CA12CA9CA1CA2
SCHEMBL29441704 0.81 CA12 (0.61) ERN1CA12CA9CA1CA2
SCHEMBL30443216 0.81 CA12 (0.66) ERN1CA12CA9CA1CA2
SCHEMBL1661764 0.81 CA12 (0.66) ERN1CA12CA9CA1CA2

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-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
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 ERN1 2537/4885CA12 4671/4885CA9 4339/4885

“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.