Sugi Predict

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SCHEMBL850968

SCHEMBL850968

C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.52
▸ PPARA Q07869 1/20 0.52
▸ GSK3B P49841 1/20 0.47
▸ CES2 O00748 2/20 0.45
▸ CES1 P23141 2/20 0.45
▸ TRPA1 O75762 2/20 0.44
▸ TRPV1 Q8NER1 1/20 0.42
▸ GABRB1 P18505 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ MLYCD O95822 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RAPGEF3 O95398 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39

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
SCHEMBL1743898 1.00 PPARG (0.52) PPARGPPARAGSK3BCES2CES1
SCHEMBL24298843 0.88 HDAC1 (0.45) PPARGPPARATRPA1RAPGEF3RAPGEF4
SCHEMBL24298844 0.88 HDAC1 (0.45) PPARGPPARATRPA1RAPGEF3RAPGEF4
SCHEMBL21180491 0.85 TRPA1 (0.48) PPARGPPARATRPA1GABRB1GABRB2
SCHEMBL3871050 0.85 TRPA1 (0.48) PPARGPPARATRPA1GABRB1GABRB2
SCHEMBL2802800 0.84 NPSR1 (0.59) CES2TRPA1NPSR1RAB9ALMNA
SCHEMBL18660862 0.84 PPARG (0.49) PPARGPPARATRPA1KDM4EGLA
SCHEMBL27405399 0.84 MIF (0.46) PPARGPPARATRPA1HRH2HRH1
SCHEMBL18660861 0.84 PPARG (0.49) PPARGPPARATRPA1KDM4EGLA
SCHEMBL27405397 0.84 MIF (0.46) PPARGPPARATRPA1HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 — — US disclosed
WO-2013099041-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-07-04 — — WO disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 — — US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 — — US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 — — US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 — — US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 — — US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 — — US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 — — US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 — — US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 — — US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 — — US disclosed
EP-1546133-B1 N-SUBSTITUTED-2-OXODIHYDROPYRIDINE DERIVATIVES AS NPY ANTAGONISTS BANYU PHARMA CO LTD (JP) 2010-03-17 — — EP disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 — — US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 — — US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed
US-7138525-B2 N-substituted-2-oxodihydropyridine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-21 — — US disclosed
US-6869966-B2 N-substituted-2-oxodihydropyridine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 — — US disclosed
US-20050009879-A1 Chemical intermediates for their production such as 1-ethyl-2-pyridone-5-carboxylic acid; neuropeptide Y receptor antagonists; for treatment of cardiovascular disorders, glaucoma, and eating disorders MSD K.K. (JP) 2005-01-13 — — US disclosed
US-20040072874-A1 N-substituted-2-oxodihydropyridine derivatives MSD K.K. (JP) 2004-04-15 — — 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 (7 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 PPARG 288/4885PPARA 885/4885GSK3B 2322/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PPARG 288/4885PPARA 885/4885GSK3B 2322/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PPARG 288/4885PPARA 885/4885GSK3B 2322/4885
US-20050009879-A1 Chemical intermediates for their production such as 1-ethyl-2-pyridone-5-carboxylic acid; neuropeptide Y receptor antagonists; for treatment of cardiovascular disorders, glaucoma, and eating disorders NPY1R, NPY2R, NPY4R PPARG 188/4885PPARA 229/4885GSK3B 4552/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 PPARG 1929/4885PPARA 1363/4885GSK3B 941/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PPARG 288/4885PPARA 885/4885GSK3B 2322/4885
US-20040072874-A1 N-substituted-2-oxodihydropyridine derivatives GPR119, NPY4R, NPY1R PPARG 207/4885PPARA 196/4885GSK3B 4594/4885

“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.