SCHEMBL6220822

SCHEMBL6220822

CC(=O)Oc1ccc(S)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
KDM4E B2RXH2 5/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 3/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.45
CFD P00746 2/20 0.44
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 3/20 0.40
GLA P06280 2/20 0.40
MAPT P10636 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
NR3C1 P04150 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 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
SCHEMBL18930727 0.84 TSHR (0.58) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL6220819 0.81 ACHE (0.33) ACHEKDM4ETSHRALDH1A1GAA
SCHEMBL10496476 0.80 CFD (0.61) ACHEKDM4ETSHRALDH1A1GAA
SCHEMBL1799618 0.80 LMNA (0.52) ACHEKDM4ETSHRALDH1A1GAA
SCHEMBL14573377 0.79 CFD (0.47) ACHEKDM4ETSHRALDH1A1GAA
SCHEMBL29535063 0.78 KDM4E (0.58) ACHEKDM4ETSHRALDH1A1GAA
SCHEMBL30874127 0.78 CYP3A4 (0.48) ACHEKDM4ETSHRALDH1A1GAA
SCHEMBL1922225 0.78 CYP3A4 (0.48) ACHEKDM4ETSHRALDH1A1GAA
SCHEMBL2541390 0.78 KDM4E (0.58) ACHEKDM4ETSHRALDH1A1GAA
SCHEMBL6220377 0.78 AKT1 (0.49) KDM4ETSHRALDH1A1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
CN-1076697-A BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LTD (GB) 1993-09-29 CN 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 ACHE 770/4885KDM4E 1427/4885TSHR 634/4885

“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.