SCHEMBL6153768

SCHEMBL6153768

S=C=Nc1cccc(SCCCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.43
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
NAAA Q02083 3/20 0.41
P2RY6 Q15077 2/20 0.40
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPA1 O75762 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2A13 Q16696 1/20 0.38
EPAS1 Q99814 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 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
SCHEMBL11707851 0.84 P2RY6 (0.51) MIFMAOAMAOBNAAAP2RY6
SCHEMBL6154789 0.82 MIF (0.48) MIFMAOAMAOBP2RY6CYP3A4
SCHEMBL10808121 0.78 MAOA (0.48) MAOAMAOBHIF1ACYP3A4CYP1A2
SCHEMBL11705922 0.76 P2RY6 (0.56) MIFMAOAMAOBNAAAP2RY6
Isothiocyanate SCHEMBL6153770 0.76 CYP1A2 (0.51) MIFMAOAMAOBNAAAHIF1A
SCHEMBL6153598 0.75 MIF (0.43) MIFMAOAMAOBNAAAP2RY6
SCHEMBL1932895 0.75 CYP1A2 (0.62) MAOAMAOBHIF1ACYP3A4CYP1A2
SCHEMBL11711948 0.74 P2RY6 (0.42) MIFMAOBNAAAP2RY6HIF1A
SCHEMBL3390318 0.73 MAOA (0.45) MAOAMAOBHIF1ACYP3A4CYP1A2
SCHEMBL6154248 0.73 CYP1A2 (0.45) MAOAMAOBHIF1ACYP3A4CYP1A2

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.