SCHEMBL1177897

SCHEMBL1177897

COC(=O)c1cccc(-c2ccc3nc(N)sc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.60
PIK3CD O00329 10/20 0.60
PIK3CG P48736 8/20 0.60
PIK3CB P42338 8/20 0.60
PI4KB Q9UBF8 12/20 0.58
PI4KA P42356 11/20 0.58
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
KCNH2 Q12809 1/20 0.56
CYP1A2 P05177 1/20 0.55
ALKBH5 Q6P6C2 1/20 0.53
FTO Q9C0B1 1/20 0.53
PIP5K1C O60331 5/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ERN1 O75460 1/20 0.50

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
SCHEMBL799211 0.86 PIK3CA (0.64) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL22470617 0.85 PIK3CA (0.59) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL212263 0.85 CYP2C9 (0.71) PIK3CAPIK3CGPIK3CBPI4KBCYP3A4
SCHEMBL3709415 0.82 PIK3CG (0.76) PIK3CAPIK3CGPIK3CBPI4KBCYP3A4
SCHEMBL22470574 0.79 CYP3A4 (0.54) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL22470682 0.78 CYP3A4 (0.53) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL1121708 0.77 CYP3A4 (0.57) PIK3CAPIK3CGPIK3CBPI4KBCYP3A4
SCHEMBL14364298 0.77 KDM4E (0.54) CA12CA1CA2CA9ERN1
SCHEMBL29627194 0.77 ERN1 (0.52) CA12CA1CA2CA9ERN1
SCHEMBL28753178 0.77 ERN1 (0.52) CA12CA1CA2CA9ERN1

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-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 PIK3CA 1754/4885PIK3CD 2940/4885PIK3CG 3066/4885

“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.