SCHEMBL1179680

SCHEMBL1179680

O=C(O)c1cccc(N2CCc3cc(O)ccc3C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NR1H4 Q96RI1 2/20 0.52
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.49
AKR1C3 P42330 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
EGFR P00533 1/20 0.44
BCAT2 O15382 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 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
SCHEMBL1180940 0.87 NR1H4 (0.51) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL1180475 0.86 EGFR (0.48) ALDH1A1HPGDNR1H4MEN1KMT2A
SCHEMBL14158182 0.86 BCAT2 (0.53) ALDH1A1NR1H4CYP11B1CYP11B2BCAT2
SCHEMBL22713726 0.85 CYP11B1 (0.53) KDM4ECYP11B1CYP11B2BCAT2AOC3
SCHEMBL29438652 0.82 CYP11B1 (0.48) KDM4ECYP11B1CYP11B2BCAT2AOC3
SCHEMBL22726004 0.82 CYP11B1 (0.48) KDM4ECYP11B1CYP11B2BCAT2AOC3
SCHEMBL4083776 0.78 ALDH1A1 (0.54) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL25299690 0.76 CYP11B2 (0.77) CYP11B1CYP11B2
SCHEMBL29438633 0.76 CYP11B2 (0.77) CYP11B1CYP11B2
SCHEMBL12955566 0.75 CYP11B1 (0.46) NR1H4CYP11B1CYP11B2BCAT2AOC3

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 7 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
CN-101877966-A Farnesoid X receptor agonists SMITHKLINE BEECHAM CORP 2010-11-03 CN 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 ALDH1A1 2656/4885HPGD 2171/4885CYP1A2 304/4885

“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.