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Sugi Predict / Compounds / Indigotindisulfonate

Indigotindisulfonate

Indigotindisulfonate

SCHEMBL3680504

O=C1C(=C2Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21.[NaH].[NaH]

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CASP3 P42574 7/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CASP9 P55211 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ THRB P10828 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TGM2 P21980 3/20 0.37
▸ CES1 P23141 3/20 0.37
▸ F2 P00734 1/20 0.37

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
Indigotindisulfonate SCHEMBL3652418 1.00 CA12 (0.49) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL186296 1.00 CA12 (0.49) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL3960977 0.98 CA12 (0.47) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL2732840 0.98 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL5455215 0.98 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL29387846 0.98 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL186297 0.98 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL2727226 0.98 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL9107944 0.96 CA12 (0.49) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL29694234 0.96 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306026-A1 Capsule Formulation SYNGENTA CROP PROTECTION LLC 2008-12-11 — — US claimed
US-20030203007-A1 Pharmaceutical composition reduced in bitter taste and the like EISAI CO., LTD. 2003-10-30 — — US claimed
US-6576677-B1 Including polyvinylpyrrolidone and/or copolymer; suppressing precipitation or decomposition EISAI CO., LTD. (JP) 2003-06-10 — — US claimed
US-9204630-B2 Capsule formulation SYNGENTA PARTICIPATIONS AG (CH) 2015-12-08 — — US disclosed
US-20100086603-A1 COMPOSITION FOR PHOTOPROTECTION SYNGENTA CROP PROTECTION, INC. (US) 2010-04-08 — — US disclosed
EP-2068626-A2 COMPOSITION FOR PHOTOPROTECTION Syngenta Limited (GB) 2009-06-17 — — EP disclosed
US-20080306026-A1 Capsule Formulation SYNGENTA CROP PROTECTION LLC 2008-12-11 — — US disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US disclosed
WO-2008032022-A2 COMPOSITION FOR PHOTOPROTECTION SYNGENTA LIMITED (GB) 2008-03-20 — — WO disclosed
US-7125427-B2 Coloring agent for keratin fibers WELLA AG (DE) 2006-10-24 — — US disclosed
US-20060183781-A1 Novel thiazolylmethyl pyrazoles, method for the production thereof, and use thereof in dyes for keratin fibers WELLA AG (DE) 2006-08-17 — — US disclosed
US-7018426-B2 Oxidation dye WELLA AG (DE) 2006-03-28 — — US disclosed
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants Wella GmbH (DE) 2006-03-02 — — US disclosed
US-20040098815-A1 Coluoring agent for keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2004-05-27 — — US disclosed
US-20030203007-A1 Pharmaceutical composition reduced in bitter taste and the like EISAI CO., LTD. 2003-10-30 — — US disclosed
US-20030159222-A1 Oxidation dye HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-08-28 — — US disclosed
US-6576677-B1 Including polyvinylpyrrolidone and/or copolymer; suppressing precipitation or decomposition EISAI CO., LTD. (JP) 2003-06-10 — — US disclosed
US-20020189031-A1 Use of salts for improving the absorption qualities of anionic direct dyes WELLA AKTIENGESELLSCHAFT (DE) 2002-12-19 — — US disclosed
US-6379400-B1 DYEING FIBERS, SOLVENT OF WATER OR ALCOHOL AND NITROANILINE DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-04-30 — — US disclosed
EP-1025858-A1 MEDICINAL COMPOSITIONS WITH RELIEVED BITTERNESS, ETC. Eisai Co., Ltd. (JP) 2000-08-09 — — 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 (4 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-20030159222-A1 Oxidation dye KRT18, NOX4, VIM CA12 511/4885CA1 1009/4885CA2 428/4885
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants DDT, NQO1, MDH2 CA12 914/4885CA1 1989/4885CA2 2299/4885
US-20060183781-A1 Novel thiazolylmethyl pyrazoles, method for the production thereof, and use thereof in dyes for keratin fibers KRT18, CBR3, CDC73 CA12 1488/4885CA1 1457/4885CA2 2589/4885
US-20040098815-A1 Coluoring agent for keratin fibres KRT18, DSG1, KIF5B CA12 692/4885CA1 1420/4885CA2 3481/4885

“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.