SCHEMBL6101429

SCHEMBL6101429

CCOC(=O)C(Nc1ccc(N)c(C)c1)C(S)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MMP8 P22894 1/20 0.43
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
HPRT1 P00492 1/20 0.39
TACR1 P25103 1/20 0.38
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ELANE P08246 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL6102882 0.92 CA12 (0.40) TP53ALDH1A1CA12CA1CA2
SCHEMBL6101799 0.86 MMP8 (0.46) TP53ALDH1A1MMP8NPY1RNPY2R
SCHEMBL6102207 0.80 CYP1A2 (0.43) TP53ALDH1A1MMP8NPY1RNPY2R
SCHEMBL4823221 0.78 CYP3A4 (0.38) TP53ALDH1A1TACR1MAPTKDM4E
SCHEMBL6102568 0.76 NPC1 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL4824656 0.75 ELANE (0.48) HPRT1TACR1PPARGMAPTELANE
SCHEMBL6102003 0.73 PPID (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL5930675 0.72 CA12 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL6099637 0.72 CYP2C9 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL5930595 0.71 L3MBTL1 (0.39) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TP53 375/4885ALDH1A1 1148/4885MMP8 3311/4885

“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.