SCHEMBL1802152

SCHEMBL1802152

Nc1cnn(CCS(=O)(=O)O)c1N

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
SLC6A6 P31641 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL5419030 0.90 APP (0.35)
SCHEMBL5433620 0.88 APP (0.34)
SCHEMBL5420431 0.87 APP (0.33)
SCHEMBL5418493 0.87 APP (0.33)
Sulfuric Acid SCHEMBL2854050 0.82 CYP1A2 (0.36)
Sulfuric Acid SCHEMBL8919999 0.81 CYP1A2 (0.35)
Sulfuric Acid SCHEMBL5493743 0.81
SCHEMBL6068676 0.80
SCHEMBL5416172 0.79 CDK1 (0.32)
SCHEMBL2923881 0.78 TSHR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345580-B9 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2009-11-25 EP claimed
EP-1345580-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2006-06-07 EP claimed
EP-1345579-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING AN AMINO PYRAZOLE AND A MINERAL COMPOUND OREAL (FR) 2005-06-29 EP claimed
US-20040237219-A1 Composition for oxidation dyeing of keratinous fibres comprising at least a 4,5 or 3,4-diamino pyrazole or a triamino pyrazole and at least a particular cellulose compound, and dyeing method L'OREAL (FR) 2004-12-02 US claimed
US-20040088800-A1 Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound L'OREAL (FR) 2004-05-13 US claimed
US-20040074014-A1 Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound L'OREAL (FR) 2004-04-22 US claimed
US-7951209-B2 device comprises at least three compartments, a first compartment that contains the carbonyl compound that is useful for the invention, a second compartment that contains a diaminopyrazole, and a third compartment that contains an oxidizing composition L'OREAL (FR) 2011-05-31 US disclosed
US-20080141468-A1 device comprises at least three compartments, a first compartment that contains the carbonyl compound that is useful for the invention, a second compartment that contains a diaminopyrazole, and a third compartment that contains an oxidizing composition L'OREAL (FR) 2008-06-19 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-20070050924-A1 Composition for the oxidation dyeing of keratin fibres, comprising at least one 4,5- or 3,4-diaminopyrazole or a triaminopyrazole and at least one particular cellulose-based compound, and dyeing process L'OREAL (US) 2007-03-08 US disclosed
US-7153330-B2 Composition for the oxidation dyeing of keratin fibres, comprising at least one 4,5- or 3,4-diaminopyrazole or a triaminopyrazole and at least one selected mineral compound, and dyeing process L'OREAL (FR) 2006-12-26 US disclosed
US-20040237219-A1 Composition for oxidation dyeing of keratinous fibres comprising at least a 4,5 or 3,4-diamino pyrazole or a triamino pyrazole and at least a particular cellulose compound, and dyeing method L'OREAL (FR) 2004-12-02 US disclosed
US-20040088800-A1 Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound L'OREAL (FR) 2004-05-13 US disclosed
US-20040074014-A1 Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound L'OREAL (FR) 2004-04-22 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 (5 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-20070050924-A1 Composition for the oxidation dyeing of keratin fibres, comprising at least one 4,5- or 3,4-diaminopyrazole or a triaminopyrazole and at least one particular cellulose-based compound, and dyeing process KRT18, TUBB3, COX5A LMNA 1710/4885SLC6A6 3072/4885CYP2C19 637/4885
US-20040237219-A1 Composition for oxidation dyeing of keratinous fibres comprising at least a 4,5 or 3,4-diamino pyrazole or a triamino pyrazole and at least a particular cellulose compound, and dyeing method KRT18, TUBB3, PPOX LMNA 1906/4885SLC6A6 3659/4885CYP2C19 553/4885
US-20040074014-A1 Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound KRT18, TUBB3, COX5A LMNA 2105/4885SLC6A6 3457/4885CYP2C19 450/4885
US-20080141468-A1 device comprises at least three compartments, a first compartment that contains the carbonyl compound that is useful for the invention, a second compartment that contains a diaminopyrazole, and a third compartment that contains an oxidizing composition KRT18, NDUFB5, NDUFB3 LMNA 2183/4885SLC6A6 3398/4885CYP2C19 489/4885
US-20040088800-A1 Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound KRT18, TUBB3, COX5A LMNA 1846/4885SLC6A6 3721/4885CYP2C19 685/4885

“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.