Sugi Predict

Sugi Predict / Compounds / SCHEMBL657408

SCHEMBL657408

SCHEMBL657408

CC(C)(C)C(CCN)NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 2/20 0.45
▸ GSR P00390 1/20 0.38
▸ CPB2 Q96IY4 7/20 0.37
▸ RNPEP Q9H4A4 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GGT1 P19440 1/20 0.31

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
Hydrochloric Acid SCHEMBL1026854 0.98 GABRR1 (0.43) GABRR1GSRCPB2RNPEPFOLH1
Trifluoroacetic Acid SCHEMBL15666640 0.89 GABRR1 (0.37) GABRR1GSRCPB2RNPEPFOLH1
SCHEMBL2400833 0.88 GSR (0.48) GABRR1GSRCPB2RNPEPFOLH1
SCHEMBL793739 0.88 CPB2 (0.46) GABRR1GSRCPB2RNPEPFOLH1
SCHEMBL793417 0.83 GABRR1 (0.33) GABRR1GSRCPB2RNPEPFOLH1
SCHEMBL1132971 0.81 MEN1 (0.31) —
SCHEMBL10830748 0.81 CHRM1 (0.44) —
SCHEMBL3641426 0.79 ALDH1A1 (0.31) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4067055 0.79 MEN1 (0.30) —
SCHEMBL559017 0.79 GRN (0.31) —

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102677-B2 Benzodiazepine bromodomain inhibitor GLAXOSMITHKLINE LLC (US) 2015-08-11 — — US disclosed
WO-2013143597-A1 DEMETHYLASE ENZYMES INHIBITORS GLAXO GROUP LIMITED (GB) 2013-10-03 — — WO disclosed
US-8338406-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-25 — — US disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 — — WO disclosed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 — — EP disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 — — US disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 — — US disclosed
EP-2330909-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-06-15 — — EP disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 — — US disclosed
US-7884098-B2 2-{[5-Fluoro-2-({3-[2-(4-morpholinyl)ethyl]phenyl}amino)-4-pyrimidinyl]amino}-N-(2-hydroxyethyl)benzamide, useful in the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-02-08 — — US disclosed
US-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESSELLSCHAFT (DE) 2007-07-05 — — US disclosed
EP-1797065-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 — — EP disclosed
EP-1793825-A2 CHEMCIAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-06-13 — — EP disclosed
EP-1778231-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 — — EP disclosed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 — — US disclosed
US-20060235030-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 — — US disclosed
WO-2006103009-A1 ANTIBACTERIAL AMIDE MACROCYCLES VI AICURIS GMBH & CO. KG (DE) 2006-10-05 — — WO disclosed
WO-2006036816-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-06 — — WO disclosed
WO-2006029210-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 — — WO disclosed
WO-2006020415-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 — — 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 (6 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P GABRR1 1502/4885GSR 1041/4885CPB2 4610/4885
US-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S GABRR1 3031/4885GSR 982/4885CPB2 1875/4885
US-20060235030-A1 Novel compounds MAPKAPK2, MAPKAPK3, CDC42BPB GABRR1 2641/4885GSR 4083/4885CPB2 3493/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 GABRR1 3176/4885GSR 1451/4885CPB2 925/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 GABRR1 2689/4885GSR 4106/4885CPB2 3177/4885
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 GABRR1 549/4885GSR 323/4885CPB2 4338/4885

“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.