SCHEMBL458636

SCHEMBL458636

O=C1Nc2ccc(S(=O)(=O)O)cc2C1=O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA9 Q16790 1/20 0.69
CASP3 P42574 6/20 0.64
CASP1 P29466 1/20 0.64
CASP7 P55210 1/20 0.64
CASP9 P55211 1/20 0.64
TGM2 P21980 5/20 0.55
CES1 P23141 3/20 0.55
CAPN9 O14815 1/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL5858448 0.98 CA12 (0.67) CA12CA1CA2CA9CASP3
SCHEMBL454612 0.98 CA12 (0.67) CA12CA1CA2CA9CASP3
Hydrochloric Acid SCHEMBL5184450 0.98 CA12 (0.67) CA12CA1CA2CA9CASP3
Water SCHEMBL7085293 0.96 CA12 (0.65) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL5455215 0.85 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL29387846 0.85 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL2732840 0.85 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL2727226 0.85 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL186297 0.85 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL3652418 0.84 CA12 (0.49) CA12CA1CA2CA9CASP3

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 197 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105319301-B A kind of assay method of the indigo middle non-pigmented organic matter of food additives 中华人民共和国赤峰出入境检验检疫局 2017-05-31 CN claimed
EP-2358343-B1 METHOD FOR DECOLOURING KERATINOUS FIBRES HENKEL AG & CO KGAA (DE) 2016-10-19 EP claimed
CN-105319301-A Method for determining non-pigmented organic matter in food additive indigo CHIFENG ENTRY EXIT INSPECTION AND QUARANTINE BUREAU OF THE PLA 2016-02-10 CN claimed
US-8268015-B2 Method for decolorizing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2012-09-18 US claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-20110247644-A1 Method for Decolorizing Keratin-Containing Fibers HENKEL AG & CO. KGAA (DE) 2011-10-13 US claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US claimed
US-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 US claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US claimed
US-6743263-B1 Method for coloring keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-01 US claimed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US claimed
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 US claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
US-5611817-A HAIR DYES, COLORFASTNESS HENKEL AG & CO. KGAA (DE) 1997-03-18 US claimed
EP-0695163-B1 ISATIN DERIVATIVES FOR DYEING KERATIN-CONTAINING FIBRES HENKEL KGAA (DE) 1997-03-05 EP claimed
EP-0061444-A4 METHOD FOR REMOVING HYDROGEN SULFIDE FROM GAS STREAMS. UNION OIL CO (US) 1983-02-04 EP claimed
EP-0061444-A1 METHOD FOR REMOVING HYDROGEN SULFIDE FROM GAS STREAMS. UNION OIL CO (US) 1982-10-06 EP claimed
WO-1982001364-A1 METHOD FOR REMOVING HYDROGEN SULFIDE FROM GAS STREAMS UNION OIL CO (US) 1982-04-29 WO claimed
US-4283379-A WASHING SOLUTION OF SOLUBILIZED VANADIUM, WATER SOLUBLE NONQUINONE AROMATIC COMPOUNDS, THIOCYANATE IONS, AND A CARBOXYLATE COMPLEXING AGENT UNION OIL COMPANY OF CALIFORNIA (US) 1981-08-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110247644-A1 Method for Decolorizing Keratin-Containing Fibers KRT18, PLOD3, DSG1 CA12 364/4885CA1 569/4885CA2 713/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 CA12 2418/4885CA1 3001/4885CA2 2930/4885

“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.