SCHEMBL454611

SCHEMBL454611

O=C1Nc2ccc(S(=O)(=O)[O-])cc2C1=O.[Na+]

nearest known ligand 0.69

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.69
CA1 known ✓ P00915 1/20 0.69
CA2 known ✓ P00918 1/20 0.69
CA9 Q16790 1/20 0.69
CASP3 P42574 7/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
CASP9 P55211 1/20 0.59
TGM2 P21980 5/20 0.55
CES1 P23141 3/20 0.55
CAPN9 O14815 1/20 0.53
MAOA P21397 2/20 0.50
MAOB P27338 2/20 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
Water SCHEMBL7085288 0.98 CA12 (0.67) CA12CA1CA2CA9CASP3
Potassium Ion SCHEMBL5858452 0.96 CA12 (0.69) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL40486 0.85 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL29352151 0.85 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL118376 0.85 CA12 (0.50) CA12CA1CA2CA9CASP3
Indigotindisulfonate SCHEMBL20775438 0.84 CA12 (0.49) CA12CA1CA2CA9CASP3
SCHEMBL2260735 0.81 CA1 (1.00) CA12CA1CA2CA9CASP3
SCHEMBL565240 0.81 CA12 (0.69) CA12CA1CA2CA9CASP3
SCHEMBL458636 0.81 CA12 (0.69) CA12CA1CA2CA9CASP3
SCHEMBL30555218 0.81 CA12 (0.69) 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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12269954-B2 Process for the preparation of Indigotindisulfonate sodium (indigo carmine) PROVEPHARM LIFE SOLUTIONS S.A. (FR) 2025-04-08 US disclosed
US-20240076499-A1 PROCESS FOR THE PREPARATION OF INDIGOTINDISULFONATE SODIUM (INDIGO CARMINE) PROVEPHARM LIFE SOLUTIONS S.A. (FR) 2024-03-07 US disclosed
US-11845867-B2 Process for the preparation of indigotindisulfonate sodium (indigo carmine) PROVEPHARM LIFE SOLUTIONS S.A. (FR) 2023-12-19 US disclosed
US-20230093526-A1 PROCESS FOR THE PREPARATION OF INDIGOTINDISULFONATE SODIUM (INDIGO CARMINE) PROVEPHARM LIFE SOLUTIONS S.A. (FR) 2023-03-23 US disclosed
US-11499050-B2 Process for the preparation of indigotindisulfonate sodium (indigo carmine) PROVEPHARM LIFE SOLUTIONS S.A. (FR) 2022-11-15 US disclosed
US-20210206978-A1 PROCESS FOR THE PREPARATION OF INDIGOTINDISULFONATE SODIUM (INDIGO CARMINE) PROVEPHARM LIFE SOLUTIONS S.A. (FR) 2021-07-08 US disclosed
US-10927258-B2 Process for the preparation of Indigotindisulfonate sodium (indigo carmine) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2021-02-23 US disclosed
EP-3559121-A1 NOVEL PROCESS FOR THE PREPARATION OF INDIGOTINDISULFONATE SODIUM (INDIGO CARMINE) Biophore India Pharmaceuticals Pvt. Ltd. (IN) 2019-10-30 EP disclosed
WO-2018116325-A1 NOVEL PROCESS FOR THE PREPARATION OF INDIGOTINDISULFONATE SODIUM (INDIGO CARMINE) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2018-06-28 WO disclosed
US-8987474-B2 Inhibition of Shp2/PTPN11 protein tyrosine phosphatase by NSC-87877, NSC-117199 and their analogs UNIVERSITY OF SOUTH FLORIDA (US) 2015-03-24 US disclosed
EP-1335901-B1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES MERCK SERONO SA (CH) 2010-04-14 EP disclosed
WO-2009102433-A2 COMPOUNDS WITH MDR1-INVERSE ACTIVITY THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-08-20 WO disclosed
US-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer UNIVERSITY OF SOUTH FLORIDA (US) 2008-07-24 US disclosed
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 US disclosed
WO-2007117699-A2 INHIBITION OF SHP2/PTPN11 PROTEIN TYROSINE PHOSPHATASE BY NSC-87877, NSC-117199 AND THEIR ANALOGS UNIVERSITY OF SOUTH FLORIDA (US) 2007-10-18 WO disclosed
US-6902861-B2 Infrared absorbing compounds and their use in photoimageable elements KODAK POLYCHROME GRAPHICS, LLC (US) 2005-06-07 US disclosed
US-20040180285-A1 Infra red absorbing compounds and their use in photoimageable elements LASER PACIFIC MEDIA CORPORATION 2004-09-16 US disclosed
US-20040072816-A1 Pharmaceutically active sulfanilide derivatives MERCK SERONO SA (CH) 2004-04-15 US disclosed
EP-1335901-A1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2003-08-20 EP disclosed
WO-2002032864-A1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-25 WO 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 (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-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer PTPN7, PTPN1, PTPN2 CA12 4218/4885CA1 4364/4885CA2 3177/4885
US-20040072816-A1 Pharmaceutically active sulfanilide derivatives OXTR, AVPR2, OPRL1 CA12 3730/4885CA1 4063/4885CA2 2394/4885

“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.