SCHEMBL4819692

SCHEMBL4819692

Nc1ccc(NCCS(=O)(=O)NCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.43
CYP2D6 P10635 1/20 0.41
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
CA12 O43570 6/20 0.37
CA9 Q16790 6/20 0.37
CA5A P35218 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
APP P05067 1/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 2/20 0.37
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.35

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
Sulfuric Acid SCHEMBL672184 0.81 APP (0.42) IKBKBCYP2D6CA1CA2CA12
SCHEMBL8087915 0.80 APP (0.39) IKBKBCYP2D6CA1CA2CA12
SCHEMBL4818362 0.80 ALDH1A1 (0.42) CA1CA2CA12CA9CA5A
Sulfuric Acid SCHEMBL28619661 0.80 APP (0.41) IKBKBCYP2D6CA1CA2CA12
SCHEMBL4825546 0.79 MAPT (0.63) CYP2D6CA1CA2CA12CA9
SCHEMBL33766 0.78 APP (0.48) APPMAPTCYP3A4ALDH1A1PKM
SCHEMBL6251591 0.78 RAB9A (0.37) CYP2D6CA1CA2CA12CA9
SCHEMBL4824024 0.78 CA1 (0.40) CYP2D6CA1CA2CA12CA9
SCHEMBL4825163 0.78 CYP2D6 (0.59) CYP2D6CA1CA2CA12CA9
SCHEMBL4820048 0.77 MAPT (0.39) CYP2D6MAPTCYP3A4IDO1ALDH1A1

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 5 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 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
EP-1568687-A1 Sulphur-containing secondary para-Phenylenediamines, dying composition containing such para-phenylenediamines and methods using this composition and use L'OREAL (FR) 2005-08-31 EP 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 IKBKB 3740/4885CYP2D6 2928/4885CA1 1827/4885

“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.