SCHEMBL2811677

SCHEMBL2811677

COC(=O)c1csc2cc(OC)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
NR4A2 P43354 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHEK1 O14757 1/20 0.46
MET P08581 1/20 0.46
GSK3B P49841 1/20 0.46
LIMK1 P53667 1/20 0.46
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45

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
SCHEMBL7206532 0.86 ALDH1A1 (0.51) KDM4ECYP1A2CYP2D6CYP2C19MAPT
SCHEMBL2814704 0.86 CA12 (0.49) KDM4ECYP1A2CYP2D6CYP2C19MAPT
SCHEMBL1324265 0.85 ALDH1A1 (0.50) KDM4ECYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL30701731 0.83 CA12 (0.53) KDM4ECYP1A2CYP2C19NR4A2MAPT
SCHEMBL10952907 0.83 NR4A2 (0.51) KDM4ENR4A2MAPTNPSR1MEN1
SCHEMBL1324146 0.83 CA12 (0.53) KDM4ECYP1A2CYP2C19NR4A2MAPT
Hydrochloric Acid SCHEMBL30701699 0.81 CA12 (0.51) CYP1A2CYP2C19NR4A2MAPTMEN1
SCHEMBL497960 0.81 NR4A2 (0.49) NR4A2MAPTCHEK1METGSK3B
SCHEMBL2813553 0.81 HSD11B1 (0.40) KDM4ECYP1A2CYP2D6CYP2C19MAPT
SCHEMBL2813714 0.81 NPSR1 (0.45) KDM4ECYP1A2CYP2D6CYP2C19MAPT

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-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 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-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 KDM4E 4436/4885CYP1A2 219/4885CYP2D6 837/4885

“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.