SCHEMBL2114719

SCHEMBL2114719

COC(=O)c1cccc2ccc(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.50
HSD11B1 P28845 1/20 0.46
MTNR1B P49286 4/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
PLA2G2D Q9UNK4 1/20 0.42
PDE4B Q07343 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PLA2G2A P14555 1/20 0.40
NQO2 P16083 1/20 0.40
SDHB P21912 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 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
SCHEMBL272962 0.90 PDE4B (0.51) MTNR1AHSD11B1MTNR1BSLC6A2SLC6A4
SCHEMBL8923098 0.80 PLAU (0.54) MTNR1AHSD11B1MTNR1BTRPV1MEN1
SCHEMBL5569165 0.79 HSD11B1 (0.47) HSD11B1MAPT
SCHEMBL24150467 0.79 HSD11B1 (0.41) MTNR1AHSD11B1MTNR1BTRPV1HTR2C
SCHEMBL6099019 0.79 ALDH1A1 (0.44) MTNR1AHSD11B1MTNR1BMEN1MAPT
SCHEMBL8755775 0.79 CASP6 (0.48) MTNR1AHSD11B1MTNR1BTRPV1HTR2C
SCHEMBL21837070 0.78 SCN9A (0.43) PDE4BSDHBMEN1KMT2A
SCHEMBL16513114 0.78 HSD11B1 (0.50) HSD11B1SLC6A2SLC6A4SLC6A3PLA2G2A
SCHEMBL254145 0.78 HDAC3 (0.48) MEN1MAPTKMT2A
SCHEMBL18763951 0.78 HSD11B1 (0.50) HSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
EP-1962838-B1 FARNESOID X RECEPTOR AGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-28 EP disclosed
US-20100160398-A1 Farnesoid X Receptor Agonists GLAXOSMITHKLINE LLC 2010-06-24 US disclosed
US-20100160398-A1 Farnesoid X Receptor Agonists GLAXOSMITHKLINE LLC 2010-06-24 US disclosed
US-20100160398-A1 Farnesoid X Receptor Agonists GLAXOSMITHKLINE LLC 2010-06-24 US disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
EP-1962838-A2 FARNESOID X RECEPTOR AGONISTS Smithkline Beecham Corporation (US) 2008-09-03 EP disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
WO-2007076260-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
WO-2007076260-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 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 (2 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-20080167356-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 MTNR1A 445/4885HSD11B1 99/4885MTNR1B 548/4885
US-20100160398-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 MTNR1A 445/4885HSD11B1 99/4885MTNR1B 548/4885

“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.