SCHEMBL179966

SCHEMBL179966

Cc1nc(N)sc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
RAB9A P51151 6/20 0.54
NPC1 O15118 4/20 0.54
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LCK P06239 1/20 0.50
KDM4E B2RXH2 5/20 0.49
GAA P10253 2/20 0.49
NOS1 P29475 1/20 0.48
POLB P06746 2/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.43

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 SCHEMBL27564569 0.98 ALDH1A1 (0.61) ALDH1A1MAPTHPGDTSHRRAB9A
Acetic Acid SCHEMBL3434835 0.91 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTSHRRAB9A
Formamide SCHEMBL27740418 0.91 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL304332 0.83 ALDH1A1 (0.63) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL211474 0.83 ALDH1A1 (0.63) ALDH1A1MAPTHPGDTSHRRAB9A
Hydrochloric Acid SCHEMBL6239673 0.81 ALDH1A1 (0.61) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL21013404 0.81 ALDH1A1 (0.67) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL4602665 0.81 ALDH1A1 (0.61) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL27564565 0.81 ALDH1A1 (0.67) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL20911243 0.79 ALDH1A1 (0.76) ALDH1A1MAPTHPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108570017-A The synthesis of 2- amino-4-methylthiazole-5-carboxylates 西安格瑞德化工新材料有限公司 2018-09-25 CN claimed
CN-104768377-A Pesticidal active mixtures comprising anthranilamides BASF SE 2015-07-08 CN claimed
CN-103664819-A Preparation method of ethyl 2-amino-4-methylthiazole-5-carboxylate SHANDONG HUIHAI PHARMACEUTICALS & CHEMICALS CO LTD 2014-03-26 CN claimed
CN-103025162-A Method for cultivating sugar cane BASF SE 2013-04-03 CN claimed
CN-102079732-B Method for synthesizing 2-amino-4-methylthiazole-5-carboxylate and derivatives thereof UNIV XI AN JIAOTONG 2013-03-13 CN claimed
CN-102942565-A 3,4-dichloro isothiazole derivatives, their preparation method and application JIANGXI TIANREN ECOLOGY CO LTD 2013-02-27 CN claimed
US-20100273650-A1 Fungicidal Mixtures Comprising a Substituted 3-Hydroxymethylpyridine and a Further Fungicidal Compound BASF SE (DE) 2010-10-28 US claimed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2230909-A2 FUNGICIDAL MIXTURES COMPRISING A SUBSTITUTED 3-HYDROXYMETHYLPYRIDINE AND A FURTHER FUNGICIDAL COMPOUND BASF SE (DE) 2010-09-29 EP claimed
WO-2009063074-A2 FUNGICIDAL MIXTURES I BASF SE (DE) 2009-05-22 WO claimed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO claimed
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP claimed
WO-2008148859-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2008-12-11 WO claimed
WO-2008095890-A2 FUNGICIDAL MIXTURES COMPRISING SUBSTITUTED 1-METHYLPYRAZOL-4-YLCARBOXANILIDES BASF SE (DE) 2008-08-14 WO claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
CN-1659168-A Amide-substituted xanthine derivatives having gluconeogenesis modulating activity HOFFMANN LA ROCHE (CH) 2005-08-24 CN claimed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP claimed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US claimed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL ALDH1A1 297/4885MAPT 3897/4885HPGD 469/4885
US-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 ALDH1A1 268/4885MAPT 4862/4885HPGD 2184/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 ALDH1A1 764/4885MAPT 4877/4885HPGD 1430/4885
US-20100273650-A1 Fungicidal Mixtures Comprising a Substituted 3-Hydroxymethylpyridine and a Further Fungicidal Compound CBR3, NOX3, CBR1 ALDH1A1 883/4885MAPT 4861/4885HPGD 2964/4885

“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.