SCHEMBL4823252

SCHEMBL4823252

COC(=O)C(CCSC)Nc1ccc(N)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
PPID Q08752 1/20 0.46
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CASP1 P29466 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 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
SCHEMBL4819667 0.91 PPID (0.56) USP2TAS1R3TAS1R1PPIDHTT
SCHEMBL5930493 0.84 CA12 (0.42) USP2L3MBTL1CYP2C19GAACA12
SCHEMBL27974457 0.82 USP2 (0.53) USP2TAS1R3TAS1R1HTTRECQL
SCHEMBL2327387 0.82 USP2 (0.53) USP2TAS1R3TAS1R1HTTRECQL
SCHEMBL5930463 0.81 MAPT (0.42) USP2TAS1R3TAS1R1HTTCYP2C19
SCHEMBL4816353 0.80 GAA (0.53) USP2TAS1R3TAS1R1PPIDHTT
SCHEMBL14253849 0.80 GAA (0.53) USP2TAS1R3TAS1R1PPIDHTT
Hydrochloric Acid SCHEMBL4818351 0.79 GAA (0.52) USP2TAS1R3TAS1R1PPIDHTT
SCHEMBL6099965 0.79 MAPT (0.40) USP2TAS1R3TAS1R1PPIDCYP2C19
SCHEMBL4824615 0.78 TAS1R3 (0.49) USP2TAS1R3TAS1R1PPIDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US claimed
US-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'OREAL S.A. (FR) 2006-01-12 US claimed
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'OREAL S.A. (FR) 2006-01-12 US 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-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof KRT18, CDC73, DSG1 USP2 1779/4885TAS1R3 1152/4885TAS1R1 1368/4885

“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.