SCHEMBL4824615

SCHEMBL4824615

COC(=O)C(CCSC)Nc1ccc(N)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.42
CASP1 P29466 1/20 0.42
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PPID Q08752 1/20 0.41

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
SCHEMBL4817666 0.91 PPID (0.50) TAS1R3TAS1R1USP2GAARECQL
SCHEMBL5930590 0.84 CA12 (0.47) TAS1R3TAS1R1GAARECQLHPGD
SCHEMBL4816353 0.83 GAA (0.53) TAS1R3TAS1R1USP2GAARECQL
SCHEMBL14253849 0.83 GAA (0.53) TAS1R3TAS1R1USP2GAARECQL
Hydrochloric Acid SCHEMBL4818351 0.82 GAA (0.52) TAS1R3TAS1R1USP2GAARECQL
SCHEMBL2327386 0.81 USP2 (0.55) TAS1R3TAS1R1USP2GAARECQL
SCHEMBL5930672 0.81 CA12 (0.42) TAS1R3TAS1R1GAARECQLCA12
Hydrochloric Acid SCHEMBL8367290 0.80 TAS1R3 (0.73) TAS1R3TAS1R1USP2GAARECQL
SCHEMBL8366029 0.79 GAA (0.49) TAS1R3TAS1R1USP2GAARECQL
SCHEMBL6101991 0.79 TAS1R3 (0.39) TAS1R3TAS1R1RECQLCA12CA1

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 TAS1R3 1152/4885TAS1R1 1368/4885USP2 1779/4885

“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.