SCHEMBL5448702

SCHEMBL5448702

O=C(O)c1ccccc1CSc1ccc(CN(O)C(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.48
PPARA Q07869 10/20 0.48
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.41
LPAR1 Q92633 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5447232 0.87 PPARG (0.45) PPARGPPARAALDH1A1LMNA
SCHEMBL29770828 0.78 ALDH1A1 (0.61) PPARGPPARAALDH1A1GAAMAPT
SCHEMBL1931922 0.78 ALDH1A1 (0.61) PPARGPPARAALDH1A1GAAMAPT
SCHEMBL5312651 0.77 PPARG (0.61) PPARGPPARAALDH1A1GAAMAPT
SCHEMBL7646415 0.74 HSD11B1 (0.54) TSHRLMNAMEN1KMT2A
SCHEMBL14596729 0.74 RAB9A (0.68) ALDH1A1GAAMAPTLTB4R2LMNA
SCHEMBL9045444 0.74 ALDH1A1 (0.54) PPARGPPARAALDH1A1GAAMAPT
SCHEMBL25685762 0.74 ALDH1A1 (0.54) PPARGPPARAALDH1A1GAAMAPT
SCHEMBL4630402 0.73 PPARG (0.49) PPARGPPARAALDH1A1LTB4R2MEN1
SCHEMBL8365095 0.72 PPARG (0.52) PPARGPPARAALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015799-A1 Glyoxalase inhibitors CHROMA THERAPEUTICS LIMITED (GB) 2007-01-18 US disclosed
US-20070015799-A1 Glyoxalase inhibitors CHROMA THERAPEUTICS LIMITED (GB) 2007-01-18 US disclosed
US-20070015799-A1 Glyoxalase inhibitors CHROMA THERAPEUTICS LIMITED (GB) 2007-01-18 US disclosed
EP-1622869-A1 GLYOXALASE INHIBITORS Chroma Therapeutics Limited (GB) 2006-02-08 EP disclosed
WO-2004101506-A1 GLYOXALASE INHIBITORS CHROMA THERAPEUTICS LIMITED (GB) 2004-11-25 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 (1 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-20070015799-A1 Glyoxalase inhibitors GLO1, LOX, LOXL1 PPARG 4267/4885PPARA 4574/4885ALDH1A1 1148/4885

“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.