SCHEMBL6153598

SCHEMBL6153598

S=C=Nc1cccc(SCc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
P2RY6 Q15077 2/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SLC6A4 P31645 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NAAA Q02083 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KCNH2 Q12809 1/20 0.35
DAO P14920 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HAO1 Q9UJM8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6154789 0.91 MIF (0.48) MIFMAOAMAOBP2RY6PPARG
SCHEMBL6154843 0.82 MAOB (0.52) MIFMAOAMAOBDAOMEN1
SCHEMBL4959824 0.81 MIF (0.41) MIFP2RY6HSD17B10MEN1KMT2A
Isothiocyanate SCHEMBL6153605 0.77 MAOB (0.47) MAOAMAOBPPARGPPARASLC6A4
SCHEMBL27445248 0.77 MAOA (0.46) MAOAMAOBPPARGPPARASLC6A4
SCHEMBL5556877 0.76 TP53 (0.49) ALDH1A1CYP3A4MAPT
SCHEMBL6153768 0.75 MIF (0.43) MIFMAOAMAOBP2RY6HSD17B10
SCHEMBL31295587 0.75 MIF (0.64) MIFMAOAP2RY6SLC6A4HSD17B10
SCHEMBL6154702 0.74 MAOA (0.42) MAOAMAOBSLC6A4TAAR1KCNH2
SCHEMBL19973146 0.73 MAOA (0.51) MAOAMAOBSLC6A4HSD17B10DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP MIF 3996/4885MAOA 4410/4885MAOB 3660/4885

“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.