SCHEMBL3379479

SCHEMBL3379479

CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
ALDH1A1 P00352 6/20 0.45
HPGD P15428 1/20 0.45
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 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
SCHEMBL3379484 1.00 PPARG (0.54) PPARGPPARACTSSCTSKALDH1A1
SCHEMBL6681029 0.88 PPARG (0.47) PPARGPPARACTSSCTSKALDH1A1
SCHEMBL8698369 0.86 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL2238035 0.85 ALOX5 (0.55) PPARGPPARACTSSCTSKALDH1A1
SCHEMBL2238030 0.85 ALOX5 (0.55) PPARGPPARACTSSCTSKALDH1A1
SCHEMBL9255604 0.85 ALOX5 (0.55) PPARGPPARACTSSCTSKALDH1A1
SCHEMBL1628549 0.83 ALDH1A1 (0.50) PPARGPPARACTSKALDH1A1HPGD
SCHEMBL1231134 0.83 ALDH1A1 (0.50) PPARGPPARACTSKALDH1A1HPGD
SCHEMBL1231133 0.83 ALDH1A1 (0.50) PPARGPPARACTSKALDH1A1HPGD
SCHEMBL25447101 0.83 PPARG (0.51) PPARGPPARAALDH1A1HPGDALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 US disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 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 (2 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF PPARG 2696/4885PPARA 3503/4885CTSS 1187/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC PPARG 4212/4885PPARA 3199/4885CTSS 1869/4885

“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.