SCHEMBL2811662

SCHEMBL2811662

COC(=O)c1csc2cc(-c3ccc(O)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
CHEK1 O14757 1/20 0.43
MET P08581 1/20 0.43
GSK3B P49841 1/20 0.43
LIMK1 P53667 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
NR4A2 P43354 5/20 0.40
ESR2 Q92731 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40

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
SCHEMBL30701731 0.88 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1324146 0.88 CA12 (0.53) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL30701699 0.87 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL498008 0.84 HSD17B1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL10952907 0.79 NR4A2 (0.51) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL497960 0.78 NR4A2 (0.49) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL2811677 0.78 KDM4E (0.49) CA1CA2CHEK1METGSK3B
SCHEMBL17122504 0.74 CFTR (0.55) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL10953551 0.74 CHEK1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL2082007 0.74 CA12 (0.44) CA12CA1CA2CA7CA9

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 CA12 4597/4885CA1 4461/4885CA2 3601/4885

“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.