SCHEMBL459217

SCHEMBL459217

CC(C)(C)C(=O)OCc1nc(C(=O)O)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 6/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
APEX1 P27695 1/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP2 P08253 2/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 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
SCHEMBL1421535 0.84 RAB9A (0.60) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL743224 0.83 MAPT (0.47) RAB9ANPC1L3MBTL1MAPTKDM4E
SCHEMBL12126031 0.81 NPC1 (0.59) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL1421532 0.79 MMP2 (0.49) RAB9ANPC1L3MBTL1MAPTKDM4E
SCHEMBL3885398 0.78 RAB9A (0.59) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL4784274 0.77 RAB9A (0.76) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL3383267 0.75 HRH3 (0.61) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL1244889 0.73 MMP1 (0.53) RAB9ANPC1L3MBTL1MAPTKDM4E
SCHEMBL13412487 0.73 MMP1 (0.47) L3MBTL1KDM4EGAAALDH1A1MMP2
SCHEMBL4726570 0.72 RAB9A (0.76) RAB9ANPC1L3MBTL1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 EP disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
EP-2507223-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES Glaxo Group Limited (GB) 2012-10-10 EP disclosed
EP-2507226-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-10-10 EP disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
WO-2005096734-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-20 WO disclosed
WO-2005096734-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-20 WO disclosed
US-20050222129-A1 Non-imidazole heterocyclic compounds JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-10-06 US disclosed
EP-1390034-A4 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2005-07-13 EP disclosed
EP-1390034-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-02-25 EP disclosed
US-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK SHARP & DOHME CORP. 2003-06-26 US disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 WO disclosed
CN-1278820-A Pyrrolopyrrolone derivatives as inhibitors of neutrophil elastase GLAXO GROUP LTD (GB) 2001-01-03 CN disclosed
EP-1003748-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 2000-05-31 EP disclosed
WO-1999012933-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-03-18 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-20050222129-A1 Non-imidazole heterocyclic compounds HRH3, HRH4, HRH2 RAB9A 1837/4885NPC1 1370/4885L3MBTL1 2056/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 RAB9A 1739/4885NPC1 972/4885L3MBTL1 3070/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B RAB9A 623/4885NPC1 725/4885L3MBTL1 3994/4885
US-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists GRIN1, GRIN2B, GRIN2A RAB9A 2382/4885NPC1 1441/4885L3MBTL1 3939/4885
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3C3, PIK3CA, PIK3CD RAB9A 1915/4885NPC1 2166/4885L3MBTL1 3772/4885

“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.