Sugi Predict

Sugi Predict / Compounds / SCHEMBL3576290

SCHEMBL3576290

SCHEMBL3576290

CCOC(=O)/C(O)=C/C(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GLO1 Q04760 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GAA P10253 2/20 0.33

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
SCHEMBL3576293 1.00 NPSR1 (0.44) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL9806023 0.79 NPSR1 (0.50) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL28134967 0.79 NPSR1 (0.50) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL2530459 0.77 NPSR1 (0.41) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL2530458 0.77 NPSR1 (0.41) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL2288560 0.77 NPSR1 (0.65) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL4844916 0.77 NPSR1 (0.48) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL6739700 0.77 MAPK1 (0.37) ALDH1A1EGLN1HCAR2MAPTNPC1
SCHEMBL4205886 0.77 NPSR1 (0.65) NPSR1GLO1ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL6739701 0.77 MAPK1 (0.37) ALDH1A1EGLN1HCAR2MAPTNPC1

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
US-9096532-B2 Pyrazole inhibitors of COX-2 and sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 — — US disclosed
US-9096532-B2 Pyrazole inhibitors of COX-2 and sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 — — US disclosed
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 — — US disclosed
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 — — US disclosed
WO-2012082647-A2 PYRAZOLE INHIBITORS OF COX-2 AND sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-21 — — WO disclosed
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity INNODIA INC. (CA) 2010-02-25 — — US disclosed
EP-1874287-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF OBESITY AND RELATED SYNDROMES Innodia Inc. (CA) 2008-01-09 — — EP disclosed
EP-1858840-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF Innodia Inc. (CA) 2007-11-28 — — EP disclosed
WO-2007107008-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF DISORDERS OF FAT METABOLISM AND OBESITY INNODIA INC. (CA) 2007-09-27 — — WO disclosed
WO-2006131836-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF OBESITY AND RELATED SYNDROMES INNODIA INC. (US) 2006-12-14 — — WO disclosed
WO-2006120574-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF INNODIA INC. (CA) 2006-11-16 — — WO disclosed
US-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes INVESTISSEMENT QUEBEC (CA) 2006-10-05 — — US disclosed
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof UNIVERSITE LOUIS PASTEUR STRASBOURG I (FR) 2006-09-07 — — US disclosed
US-20060069132-A1 Azolecarboxamide herbicides E. I. DU PONT DE NEMOURS AND COMPANY 2006-03-30 — — US disclosed
WO-2005040152-A1 HETEROYCLYLPHENYL-AND HETEROCYCLYLPYRIDYL-SUBSTITUTED AZOLECARBOXAMIDES AS HERBICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-05-06 — — WO disclosed
WO-2004106324-A1 AZOLECARBOXAMIDE HERBICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-12-09 — — WO disclosed
WO-2004035545-A2 AZOLECARBOXAMIDE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-04-29 — — 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 (5 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-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes GPR119, HSD3B1, PC NPSR1 419/4885GLO1 54/4885ALDH1A1 600/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 NPSR1 1361/4885GLO1 46/4885ALDH1A1 615/4885
US-20060069132-A1 Azolecarboxamide herbicides CYP2W1, CHRM2, CYP4Z1 NPSR1 909/4885GLO1 145/4885ALDH1A1 965/4885
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH PTGES2, PTGS2, PTGES3 NPSR1 4325/4885GLO1 1139/4885ALDH1A1 1553/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE NPSR1 1492/4885GLO1 132/4885ALDH1A1 300/4885

“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.