Sugi Predict

Sugi Predict / Compounds / SCHEMBL2000858

SCHEMBL2000858

SCHEMBL2000858

CCOC(=O)c1cc2cc(Br)ccc2nc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.71
▸ ALDH1A1 P00352 5/20 0.69
▸ KDM4E B2RXH2 5/20 0.69
▸ HPGD P15428 2/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ HSP90AA1 P07900 1/20 0.59
▸ MAPT P10636 1/20 0.54
▸ HSD17B10 Q99714 2/20 0.51
▸ EP300 Q09472 1/20 0.51
▸ ATM Q13315 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ GABRA1 P14867 1/20 0.46
▸ GABRB1 P18505 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
SCHEMBL21177057 0.89 TSHR (0.59) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2312424 0.86 ALDH1A1 (0.57) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5210284 0.85 L3MBTL1 (0.55) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL14089785 0.84 TSHR (0.72) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL24950820 0.83 TSHR (1.00) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL31133542 0.83 TSHR (1.00) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6824035 0.83 TSHR (0.71) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL29076961 0.83 KDM4E (0.57) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL23815706 0.82 KDM4E (1.00) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1034564 0.81 TSHR (0.68) TSHRALDH1A1KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2885285-B1 PYRAZOLE DRIVATIVES WHICH INHIBIT LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2016-10-19 — — EP disclosed
US-9403830-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-02 — — US disclosed
US-9403830-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-02 — — US disclosed
US-20140031339-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 — — US disclosed
US-20140031339-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 — — 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-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 (3 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 TSHR 486/4885ALDH1A1 2326/4885KDM4E 4382/4885
US-20140031339-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTB4R2 TSHR 2352/4885ALDH1A1 152/4885KDM4E 3067/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 TSHR 486/4885ALDH1A1 2326/4885KDM4E 4382/4885

“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.