SCHEMBL6154496

SCHEMBL6154496

CCCCc1ccc(NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.69
MAPT P10636 4/20 0.69
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
ABCG2 Q9UNQ0 1/20 0.61
ALDH1A1 P00352 4/20 0.60
HPGD P15428 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALOX12 P18054 1/20 0.60
CYP2C19 P33261 1/20 0.60
THRA P10827 1/20 0.57
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL6154277 0.96 GAA (0.66) GAAMAPTTDP1L3MBTL1MEN1
SCHEMBL6155202 0.94 GAA (0.71) GAAMAPTTDP1L3MBTL1MEN1
SCHEMBL6155197 0.81 GAA (0.74) GAAMAPTTDP1L3MBTL1MEN1
SCHEMBL6154198 0.81 GAA (0.74) GAAMAPTTDP1L3MBTL1MEN1
SCHEMBL6154649 0.77 MAPT (1.00) GAAMAPTTDP1L3MBTL1MEN1
SCHEMBL6155499 0.76 MAPT (0.76) GAAMAPTTDP1L3MBTL1MEN1
SCHEMBL6154317 0.75 MAPT (0.82) GAAMAPTTDP1L3MBTL1MEN1
SCHEMBL10803370 0.74 ABCG2 (0.68) MAPTMEN1KMT2AABCG2ALDH1A1
Dinitrophenylene SCHEMBL27382513 0.73 ALDH1A1 (0.51) MEN1KMT2AABCG2ALDH1A1HPGD
SCHEMBL5445810 0.73 ALDH1A1 (0.64) GAAMAPTTDP1L3MBTL1MEN1

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 GAA 2365/4885MAPT 3318/4885TDP1 219/4885

“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.