SCHEMBL2815532

SCHEMBL2815532

COC(=O)c1ccc2scc(-c3ccc(O)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA12 O43570 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
EGFR P00533 1/20 0.44
XDH P47989 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL12365931 0.89 MAPT (0.52) EGFRALDH1A1MAPTLMNAHSD17B10
SCHEMBL12389733 0.88 CA1 (0.51) CA1CA2ALDH1A1MAPTMEN1
SCHEMBL12365933 0.88 PTGS1 (0.55) ALDH1A1MAPTLMNAHSD17B10MEN1
SCHEMBL12366080 0.86 CYP46A1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL25356689 0.86 CA12 (0.54) CA1CA2CA12CA7CA9
SCHEMBL3490994 0.86 L3MBTL1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL17669510 0.83 FFAR1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL12365975 0.80 CA12 (0.45) CA1CA2CA12CA7CA9
SCHEMBL12365981 0.80 CYP11B1 (0.57) ALDH1A1MAPTLMNAHSD17B10MEN1
SCHEMBL5027440 0.77 PTGS1 (0.55) EGFRALDH1A1MAPTLMNAHSD17B10

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

“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.