SCHEMBL1998568

SCHEMBL1998568

CCOC(=O)c1ccc2cc(Br)c(F)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TSHR P16473 1/20 0.41
PTPN1 P18031 2/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL28428697 0.79 TSHR (0.64) CYP1A2SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL2001591 0.79 ALDH1A1 (0.65) CYP1A2SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL2001578 0.79 CYP1A2 (0.43) CYP1A2SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL18191203 0.78 MGAM (0.47) SMN1; SMN2ALDH1A1TSHRPTPN1KDM4E
SCHEMBL19584461 0.77 CYP1A2 (0.57) CYP1A2SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL1976720 0.77 CYP1A2 (0.50) CYP1A2SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL31544247 0.76 TSHR (0.48) SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL9319975 0.76 PDGFRB (0.53) CYP1A2SMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL28433180 0.76 ALDH1A1 (0.54) CYP1A2SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL8001647 0.76 CYP1A2 (0.56) CYP1A2SMN1; SMN2ALDH1A1MAPTPOLB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 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
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
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US 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 CYP1A2 163/4885SMN1; SMN2 4771/4885ALDH1A1 2326/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 CYP1A2 163/4885SMN1; SMN2 4771/4885ALDH1A1 2326/4885

“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.