SCHEMBL2003229

SCHEMBL2003229

O=C(O)c1ccc2cc(-c3ccc(O)cc3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.51
ESR2 Q92731 7/20 0.49
ESR1 P03372 6/20 0.49
ALDH1A1 P00352 1/20 0.46
EPRS1 P07814 1/20 0.46
BACE1 P56817 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
HSD17B14 Q9BPX1 1/20 0.43
DHODH Q02127 1/20 0.43
PIK3CA P42336 1/20 0.42
MCL1 Q07820 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
SCHEMBL2211860 0.86 MGAM (0.58) MGAMESR2ESR1ALDH1A1CYP1A2
SCHEMBL2002585 0.81 ESR2 (0.44) ESR2ESR1ALDH1A1HSD17B14
SCHEMBL2002271 0.78 CYP1A2 (0.49) ESR2ESR1ALDH1A1CYP1A2
Quinaldic Acid SCHEMBL22449356 0.77 MGAM (0.85) MGAMALDH1A1CYP1A2CYP2C9HSD17B14
SCHEMBL950437 0.77 MGAM (0.60) MGAMALDH1A1CYP1A2CYP2C9HSD17B14
SCHEMBL12405037 0.76 MGAM (0.63) MGAMALDH1A1
SCHEMBL69982 0.75 MGAM (0.58) MGAMESR2ALDH1A1HSD17B14
SCHEMBL17595151 0.74 MCL1 (0.56) ESR2ESR1ALDH1A1DHODHMCL1
SCHEMBL9220609 0.74 MGAM (0.61) MGAMALDH1A1
SCHEMBL1000331 0.74 MGAM (0.56) MGAMALDH1A1BACE1MCL1

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
EP-2079307-B1 FARNESOID X RECEPTOR AGONISTS GLAXOSMITHKLINE LLC (US) 2013-07-17 EP disclosed
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
EP-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US 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-20100120775-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 MGAM 4671/4885ESR2 246/4885ESR1 362/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 MGAM 4671/4885ESR2 246/4885ESR1 362/4885

“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.