SCHEMBL6101799

SCHEMBL6101799

CCOC(=O)C(Nc1ccc(N)cc1)C(S)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPRT1 P00492 1/20 0.41
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.40
RECQL P46063 1/20 0.40
ELANE P08246 1/20 0.39
TACR1 P25103 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6102568 0.90 NPC1 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL6101429 0.86 TP53 (0.44) MMP8ALDH1A1TP53CA12CA1
SCHEMBL6102207 0.84 CYP1A2 (0.43) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL6102882 0.78 CA12 (0.40) ALDH1A1TP53CA12CA1CA2
SCHEMBL4829862 0.77 CA12 (0.48) ALDH1A1TP53CA12CA1CA2
Hydrochloric Acid SCHEMBL4826620 0.76 CA12 (0.47) ALDH1A1TP53CA12CA1CA2
SCHEMBL6099637 0.75 CYP2C9 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL5646599 0.73 MMP8 (0.46) MMP8ALDH1A1TP53CA12CA1
SCHEMBL4823298 0.72 RAB9A (0.40) ALDH1A1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4816301 0.72 ELANE (0.58) CA12CA1CA2CA9NPC1

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

“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.