SCHEMBL4824936

SCHEMBL4824936

Nc1ccc(NCCCS(=O)(=O)CCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.38
APP P05067 1/20 0.37
CYP2D6 P10635 1/20 0.37
F2 P00734 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TMPRSS6 Q8IU80 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
KEAP1 Q14145 1/20 0.33

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
SCHEMBL8087915 0.90 APP (0.39) APPCYP2D6MAPTRAB9AALDH1A1
SCHEMBL4823364 0.84 CA1 (0.42) APPRAB9ACA12CA1CA2
SCHEMBL8019236 0.84 APP (0.37) PRSS1APPCYP2D6F2PRSS2
SCHEMBL7760682 0.83 MAPT (0.53) MAPTALDH1A1CA12CA1CA2
Hydrochloric Acid SCHEMBL8603722 0.82 MAPT (0.52) MAPTALDH1A1CA12CA1CA2
SCHEMBL8079295 0.82 DDX3X (0.41) MAPTALDH1A1CA12CA1CA2
SCHEMBL917777 0.81 CYP2D6 (0.51) PRSS1APPCYP2D6F2PRSS2
SCHEMBL8086605 0.79 CTDSP1 (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL8092489 0.79 CA2 (0.39) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL145850 0.79 ALDH1A1 (0.47) PRSS1APPF2PRSS2PRSS3

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 9 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
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 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
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
EP-0717084-B1 Water soluble fibre reactive anthraquinone compounds DYSTAR TEXTILFARBEN GMBH & CO (DE) 2000-11-22 EP disclosed
US-5744622-A water-soluble, fiber-reactive anthraquinone compounds HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
EP-0717084-A1 Water soluble fibre reactive anthraquinone compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-19 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 PRSS1 244/4885APP 1311/4885CYP2D6 2928/4885

“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.