SCHEMBL27416482

SCHEMBL27416482

O=C(c1ccccc1)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.52

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
CA2 known ✓ P00918 3/20 0.52
CA4 known ✓ P22748 2/20 0.52
CA12 known ✓ O43570 2/20 0.42
CA1 known ✓ P00915 2/20 0.42
CES1 P23141 7/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CES2 O00748 5/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46

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
SCHEMBL8673135 0.84 TDP1 (0.43) CA2CA4CES1MAPTTDP1
SCHEMBL27796051 0.80 TDP1 (0.40) CA2CA4CES1MAPTTDP1
SCHEMBL3936738 0.78 CA2 (0.48) CA2CA4CES1MAPTTDP1
SCHEMBL27552924 0.77 CES1 (0.52) CA2CA4CES1MAPTTDP1
Benzoic Acid SCHEMBL10821940 0.76 TSHR (0.67) CA2CA4CES1MEN1KMT2A
Benzoic Acid SCHEMBL10821883 0.76 TSHR (0.67) CA2CA4CES1MEN1KMT2A
SCHEMBL5604703 0.76 CES2 (0.57) CA2CES1MAPTTDP1CYP3A4
SCHEMBL6844400 0.75 CES1 (0.50) CA2CA4CES1MAPTTDP1
SCHEMBL1728427 0.75 CES1 (0.50) CA2CA4CES1MAPTTDP1
Benzophenone SCHEMBL28662703 0.74 ALDH1A1 (0.64) CA2CA4MAPTTDP1MEN1

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
CN-118852310-A Refining method of prednisolone sodium benzoyl sulfonate 河南利华制药有限公司 2024-10-29 CN claimed
CN-111377995-B Preparation method of prednisolone sodium benzoylsulfonate 天津药业研究院股份有限公司 2022-09-09 CN claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 CN claimed
CN-118852310-A Refining method of prednisolone sodium benzoyl sulfonate 河南利华制药有限公司 2024-10-29 CN disclosed
CN-118852310-A Refining method of prednisolone sodium benzoyl sulfonate 河南利华制药有限公司 2024-10-29 CN disclosed
CN-118852310-A Refining method of prednisolone sodium benzoyl sulfonate 河南利华制药有限公司 2024-10-29 CN disclosed
CN-118724994-A Method for synthesizing prednisolone sodium benzoyl sulfonate 湖南玉新药业有限公司 2024-10-01 CN disclosed
CN-118724994-A Method for synthesizing prednisolone sodium benzoyl sulfonate 湖南玉新药业有限公司 2024-10-01 CN disclosed
CN-117247545-A Azacyclic sulfonated polyarylethersulfone polymer, preparation method and application thereof 国家电投集团氢能科技发展有限公司 2023-12-19 CN disclosed
CN-111377995-B Preparation method of prednisolone sodium benzoylsulfonate 天津药业研究院股份有限公司 2022-09-09 CN disclosed
CN-111377995-B Preparation method of prednisolone sodium benzoylsulfonate 天津药业研究院股份有限公司 2022-09-09 CN disclosed
CN-111377995-B Preparation method of prednisolone sodium benzoylsulfonate 天津药业研究院股份有限公司 2022-09-09 CN disclosed
CN-113651733-A Synthesis process and continuous separation process of sodium o-sulfonate benzaldehyde 赤峰市恒荣化工有限公司 2021-11-16 CN disclosed
CN-111377995-A Preparation method of prednisolone sodium benzoylsulfonate 天津药业研究院有限公司 2020-07-07 CN disclosed
CN-1178699-C Pharmaceutical Compsns. contg. compounds with activity for enhancement of absorption of active ingredients 2004-12-08 CN disclosed
CN-1092516-C Preparation for epidermis and process for its preparation SANSHO SEIYAKU KK (JP) 2002-10-16 CN disclosed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 CN disclosed
CN-1191492-A Improved pharmaceutical dosage forms for controlled release prepared by combining hydrophilic and hydrophobic agents OCULEX PHARM INC (US) 1998-08-26 CN disclosed
CN-1106660-A Preparation for epidermis and process for its preparation SANSHO SEIYAKU KK (JP) 1995-08-16 CN disclosed
CN-1106658-A Preparation for epidermis and process for its preparation SANSHO SEIYAKU KK (JP) 1995-08-16 CN disclosed