SCHEMBL4120348

SCHEMBL4120348

COC(OC)c1cccc(Sc2sc(CN(C)C(=O)O)nc2-c2ccccc2F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CTSA P10619 4/20 0.33
TACR3 P29371 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
CLK1 P49759 1/20 0.30
DYRK1A Q13627 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
PAX8 Q06710 1/20 0.30
SLC6A9 P48067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3652888 0.89 GLS (0.34) PPARGPPARDPPARA
SCHEMBL3652892 0.88 PPARG (0.33) PPARGPPARDPPARACTSAHCRTR1
SCHEMBL4131683 0.87 EDNRA (0.40) MEN1KMT2AHSD17B2CLK1DYRK1A
SCHEMBL4125425 0.86 ALDH1A1 (0.36) HSD17B2ALDH1A1MAPTKDM4E
SCHEMBL3807952 0.85 MAPT (0.33) CTSAALDH1A1MAPTHTTKDM4E
SCHEMBL4120354 0.84 CTSA (0.35) PPARGPPARDPPARACTSATACR3
SCHEMBL4131857 0.83 MAPT (0.31) ALDH1A1MAPTKDM4E
SCHEMBL3652890 0.81 PPARG (0.35) PPARGPPARDPPARACTSATACR3
SCHEMBL4126512 0.79 KDM4E (0.38) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL4129846 0.79 ALDH1A1 (0.33) CTSAMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 PPARG 1152/4885PPARD 2722/4885PPARA 2239/4885

“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.