SCHEMBL1179448

SCHEMBL1179448

COC(=O)c1cccc(NCc2cc(OC)ccc2C(=O)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.59
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 1/20 0.54
TCF4 P15884 2/20 0.54
CTNNB1 P35222 2/20 0.54
MAPK1 P28482 3/20 0.52
TSHR P16473 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52
PPARA Q07869 2/20 0.49
HIF1A Q16665 4/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.46
NOX4 Q9NPH5 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL3640218 0.93 AKR1C3 (0.58) EGFRCA1CA2SMN1; SMN2TP53
SCHEMBL1179635 0.84 EGFR (0.56) EGFRCA1CA2SMN1; SMN2TP53
SCHEMBL15761745 0.78 HIF1A (0.65) EGFRCA1CA2SMN1; SMN2TP53
SCHEMBL22887206 0.76 SMN1; SMN2 (0.70) SMN1; SMN2TP53MAPK1RAB9AALDH1A1
SCHEMBL11070204 0.75 KDM4E (0.54) CA1CA2MAPK1RAB9AALDH1A1
SCHEMBL13830752 0.74 EGFR (0.62) EGFRCA1CA2MAPK1RAB9A
SCHEMBL5928456 0.74 SMN1; SMN2 (0.71) SMN1; SMN2TP53TCF4CTNNB1MAPK1
SCHEMBL29879594 0.74 CA1 (0.61) CA1CA2SMN1; SMN2TP53MAPK1
SCHEMBL15761718 0.74 HIF1A (0.70) CA1CA2TCF4CTNNB1ALDH1A1
SCHEMBL15761747 0.74 CA1 (0.61) CA1CA2SMN1; SMN2TP53MAPK1

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 3 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
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

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 EGFR 2004/4885CA1 4660/4885CA2 4242/4885

“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.