SCHEMBL2115262

SCHEMBL2115262

CCOC(=O)c1cccc2cc(OS(=O)(=O)C(F)(F)F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.48
KDR P35968 1/20 0.45
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CDC25A P30304 2/20 0.43
CDC25C P30307 2/20 0.43
PDE4B Q07343 1/20 0.43
CNR2 P34972 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HSD11B1 P28845 1/20 0.41
CCR6 P51684 1/20 0.41
KMT2A Q03164 2/20 0.40
ADORA1 P30542 1/20 0.40
CLEC4M Q9H2X3 1/20 0.40
PDK2 Q15119 1/20 0.40
PPARG P37231 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 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 0.86 PDE4B (0.51) CDC25BKDRTSHRKDM4EALDH1A1
SCHEMBL7667798 0.81 HSD11B1 (0.40) TSHRKDM4EALDH1A1MAOBHSD11B1
SCHEMBL11272281 0.81 CDC25B (0.60) CDC25BTSHRKDM4EALDH1A1CDC25A
SCHEMBL8613925 0.81 TSHR (0.47) TSHRKDM4EALDH1A1HSD11B1KMT2A
SCHEMBL12788120 0.80 STS (0.47) TSHRKDM4EALDH1A1HSD11B1KMT2A
SCHEMBL11955735 0.79 KDM4E (0.47) CDC25BTSHRKDM4EALDH1A1MAOA
SCHEMBL4472069 0.79 TSHR (0.46) CDC25BTSHRKDM4EALDH1A1CDC25A
SCHEMBL5738305 0.79 HSD11B1 (0.43) TSHRALDH1A1HSD11B1ADORA1
SCHEMBL5865527 0.79 STS (0.52) KDM4EALDH1A1MAOBHSD11B1PPARG
SCHEMBL13057679 0.79 STS (0.44) KDM4EALDH1A1MAOBHSD11B1ADORA1

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 12 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
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-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
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 CDC25B 4428/4885KDR 2696/4885TSHR 486/4885
US-20100160398-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 CDC25B 4428/4885KDR 2696/4885TSHR 486/4885

“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.