SCHEMBL39401

SCHEMBL39401

O=C(O)c1cccc(S(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.56

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 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.56
CA2 known ✓ P00918 2/20 0.56
CA12 known ✓ O43570 1/20 0.48
F2 P00734 3/20 0.56
PRSS1 P07477 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
MAPT P10636 1/20 0.54
IL1RN P18510 1/20 0.54
CYP2C19 P33261 1/20 0.53
AKR1C3 P42330 4/20 0.51
ALDH1A1 P00352 1/20 0.51
AKR1C1 Q04828 1/20 0.51
MEP1B Q16820 1/20 0.50
APEX1 P27695 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
PTK2B Q14289 1/20 0.49
POLB P06746 1/20 0.49
CA6 P23280 1/20 0.48

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
SCHEMBL30479405 1.00 F2 (0.56) F2PRSS1PRSS2PRSS3CA1
Lithium Ion SCHEMBL38988 0.96 F2 (0.56) F2PRSS1PRSS2PRSS3CA1
Potassium Ion SCHEMBL38171 0.96 F2 (0.56) F2PRSS1PRSS2PRSS3CA1
Tetraphenylphosphonium SCHEMBL6729407 0.87 AKR1C3 (0.48) F2PRSS1PRSS2PRSS3CA1
SCHEMBL5079232 0.86 LMNA (0.53) F2PRSS1PRSS2PRSS3CA1
SCHEMBL11681548 0.85 ATM (0.59) CA1CA2ALDH1A1TSHRCA12
SCHEMBL981406 0.85 CA2 (0.48) F2PRSS1PRSS2PRSS3CA1
SCHEMBL30785961 0.85 CA2 (0.48) F2PRSS1PRSS2PRSS3CA1
Isophthalic Acid SCHEMBL15798593 0.84 CA1 (0.56) F2PRSS1PRSS2PRSS3CA1
SCHEMBL36012087 0.83 ALDH1A1 (0.54) CA1CA2MAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119936164-A Uric acid quality control liquid and application thereof 桂林乐尔医疗器械有限公司 2025-05-06 CN claimed
CN-119775863-A High-water-resistance wall coating and preparation method thereof 山东倍耐新能源科技有限公司 2025-04-08 CN claimed
CN-119505192-A Polyester resin, polyester resin composition and molded product thereof 东丽先端材料研究开发(中国)有限公司 2025-02-25 CN claimed
CN-118724994-A Method for synthesizing prednisolone sodium benzoyl sulfonate 湖南玉新药业有限公司 2024-10-01 CN claimed
CN-118702096-A Method for recycling battery negative electrode graphite, regenerated graphite material prepared by method and application of regenerated graphite material 广东邦普循环科技有限公司 2024-09-27 CN claimed
CN-118496711-A Water-based ink for PVC decorative film and preparation method thereof 东莞市优墨数字喷墨技术有限公司 2024-08-16 CN claimed
CN-118108258-A Method for preparing pre-doped lithium modified manganous oxide by using lithium iron manganese phosphate 湖南邦普循环科技有限公司 2024-05-31 CN claimed
CN-117258769-A Preparation method of three-dimensional thermoplastic polymer nanofiber aerogel for protein adsorption separation and product thereof 常州纺织服装职业技术学院 2023-12-22 CN claimed
CN-117045850-A Preparation of degradable developable embolic microsphere with high drug loading capacity, product and application thereof 杭州电子科技大学 2023-11-14 CN claimed
CN-113637471-B In-situ lead salt coated all-inorganic lead halide perovskite nanocrystalline fluorescent powder and preparation method and application thereof 中山大学 2023-08-18 CN claimed
US-8952122-B2 Modified polyamide, preparation method thereof and article obtained from said polyamide RHODIA OPERATIONS (FR) 2015-02-10 US claimed
US-20130150524-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS (FR) 2013-06-13 US claimed
EP-2576658-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES Rhodia Operations S.A. (FR) 2013-04-10 EP claimed
US-20120172538-A1 MODIFIED POLYAMIDE, PREPARATION METHOD THEREOF AND ARTICLE OBTAINED FROM SAID POLYAMIDE RHODIA OPERATIONS (FR) 2012-07-05 US claimed
US-20120172521-A1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2012-07-05 US claimed
EP-2448998-A1 MODIFIED POLYAMIDE, PREPARATION METHOD THEREOF AND ARTICLE OBTAINED FROM SAID POLYAMIDE Rhodia Opérations (FR) 2012-05-09 EP claimed
EP-2448997-A1 MODIFIED POLYAMIDE COMPOSITION Rhodia Opérations (FR) 2012-05-09 EP claimed
WO-2011147739-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS (FR) 2011-12-01 WO claimed
WO-2011000763-A1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2011-01-06 WO claimed
WO-2011000764-A1 MODIFIED POLYAMIDE, PREPARATION METHOD THEREOF AND ARTICLE OBTAINED FROM SAID POLYAMIDE RHODIA OPERATIONS (FR) 2011-01-06 WO claimed