SCHEMBL6154789

SCHEMBL6154789

S=C=Nc1cccc(SCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.48
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SLC6A4 P31645 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 3/20 0.37
P2RY6 Q15077 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TRPA1 O75762 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
DHFR P00374 1/20 0.36

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
SCHEMBL6153598 0.91 MIF (0.43) MIFMAOAMAOBPPARGPPARA
SCHEMBL27445248 0.84 MAOA (0.46) MAOAMAOBPPARGPPARAHSD17B10
SCHEMBL6154843 0.84 MAOB (0.52) MIFMAOAMAOBNPC1RAB9A
SCHEMBL6153768 0.82 MIF (0.43) MIFMAOAMAOBHSD17B10CYP3A4
SCHEMBL4959824 0.80 MIF (0.41) MIFHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL5556877 0.78 TP53 (0.49) NPC1RAB9ASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL30574422 0.75 MIF (0.57) MIFCYP3A4P2RY6ALDH1A1TRPA1
Isothiocyanate SCHEMBL6154795 0.74 MAOA (0.58) MAOAMAOBPPARGPPARAHSD17B10
SCHEMBL1457560 0.73 MIF (0.48) MIFHSD17B10RAB9ASMN1; SMN2CYP3A4
SCHEMBL483888 0.71 MIF (0.67) MIFMAOAHSD17B10SLC6A4CYP3A4

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.