Methylprednisolone 21-Suleptanic Acid Ester

Methylprednisolone 21-Suleptanic Acid Ester

SCHEMBL43507

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCCCCCC(=O)N(C)CCS(=O)(=O)[O-])[C@@]2(C)C=CC(=O)C=C12.[Na+]

nearest known ligand 0.69

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Methylprednisolone 21-Suleptanic Acid Ester. 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
NR3C1 known ✓ P04150 5/20 0.69
PDE4D known ✓ Q08499 1/20 0.59
CYP3A4 P08684 5/20 0.65
PGR P06401 5/20 0.65
AR P10275 2/20 0.65
F2 P00734 1/20 0.65
HIF1A Q16665 10/20 0.59
HSD17B10 Q99714 3/20 0.59
ABCB11 O95342 3/20 0.59
ALDH1A1 P00352 1/20 0.59
ABCC4 O15439 1/20 0.59
NR1I2 O75469 1/20 0.59
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.44
PMP22 Q01453 1/20 0.44
TSHR P16473 1/20 0.44

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
Methylprednisolone 21-Suleptanic Acid Ester SCHEMBL13524225 0.94 NR3C1 (0.70) NR3C1CYP3A4PGRARF2
SCHEMBL11201742 0.90 NR3C1 (0.82) NR3C1CYP3A4PGRARF2
SCHEMBL11329958 0.90 NR3C1 (0.82) NR3C1CYP3A4PGRARF2
SCHEMBL13653761 0.90 NR3C1 (0.74) NR3C1CYP3A4PGRARF2
Methylprednisolone 21-Suleptanic Acid Ester SCHEMBL6259094 0.89 HIF1A (0.55) NR3C1CYP3A4PGRARF2
SCHEMBL31249747 0.85 NR3C1 (0.81) NR3C1CYP3A4PGRARF2
SCHEMBL10910221 0.85 NR3C1 (0.85) NR3C1CYP3A4PGRARF2
SCHEMBL29358979 0.85 NR3C1 (0.71) NR3C1CYP3A4PGRARF2
Hydrochloric Acid SCHEMBL31249697 0.85 NR3C1 (0.80) NR3C1CYP3A4PGRARF2
SCHEMBL11207103 0.84 NR3C1 (0.82) NR3C1CYP3A4PGRARF2

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

Appears in 4122 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12550643-B2 Oxidants and strained-ring precursors APPLIED MATERIALS, INC. (US) 2026-02-10 US claimed
CN-119973454-A PCBA welding quality prediction method and system based on time series data 中国电子科技集团公司第三十八研究所 2025-05-13 CN claimed
CN-119943235-A Steam curing-free low-carbon ultra-high-performance concrete mixing proportion design method 福建省高速公路科技创新研究院有限公司 2025-05-06 CN claimed
CN-119813292-A MPSO-based wind-solar-hydrogen storage micro-grid system capacity optimization configuration method 中国矿业大学 2025-04-11 CN claimed
CN-119670996-A Wind farm emergency operation and maintenance method, device and medium 电子科技大学中山学院 2025-03-21 CN claimed
CN-119646653-A Ship key component health state prediction method based on MPSO-RBF neural network 中国舰船研究设计中心 2025-03-18 CN claimed
CN-115733888-B Method for supporting self-adaptive unloading of multiple Internet of things applications in edge environment 福州大学 2025-02-14 CN claimed
CN-119291683-A Sub-aperture dividing and rapid focusing imaging method and device of terahertz frequency band 中国人民解放军国防科技大学 2025-01-10 CN claimed
CN-114649821-B Multi-objective hierarchical optimization scheduling method for new energy micro-grid containing electric automobile 三峡大学 2024-12-20 CN claimed
CN-114677167-B Logistics enterprise user loss prediction method 南京邮电大学 2024-12-06 CN claimed
WO-2001015744-A9 SYSTEMIC INFLAMMATORY MARKERS AS DIAGNOSTIC TOOLS IN THE PREVENTION OF ATHEROSCLEROTIC DISEASES BRIGHAM & WOMENS HOSPITAL (US) 2002-09-26 WO claimed
EP-1212101-A1 SYSTEMIC INFLAMMATORY MARKERS AS DIAGNOSTIC TOOLS IN THE PREVENTION OF ATHEROSCLEROTIC DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2002-06-12 EP claimed
JP-2001525058-A 2001-12-04 JP claimed
WO-2001015744-A1 SYSTEMIC INFLAMMATORY MARKERS AS DIAGNOSTIC TOOLS IN THE PREVENTION OF ATHEROSCLEROTIC DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2001-03-08 WO claimed
EP-1003501-A4 MEANS OF ASCERTAINING AN INDIVIDUAL'S RISK PROFILE FOR ATHEROSCLEROTIC DISEASE BRIGHAM & WOMENS HOSPITAL (US) 2001-01-17 EP claimed
EP-1003501-A1 MEANS OF ASCERTAINING AN INDIVIDUAL'S RISK PROFILE FOR ATHEROSCLEROTIC DISEASE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2000-05-31 EP claimed
WO-1998043630-A1 MEANS OF ASCERTAINING AN INDIVIDUAL'S RISK PROFILE FOR ATHEROSCLEROTIC DISEASE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 1998-10-08 WO claimed
EP-0374166-B1 AMINE SALTS OF ALKANE-1,N-DICARBOXYLIC ACID MONO-(2-SULFATO-ETHYL)AMIDES THE UPJOHN COMPANY (US) 1993-01-07 EP claimed
EP-0374166-A1 AMINE SALTS OF ALKANE-1,n-DICARBOXYLIC ACID MONO-(2-SULFATO-ETHYL)AMIDES. UPJOHN CO (US) 1990-06-27 EP claimed
WO-1989000558-A1 AMINE SALTS OF ALKANE-1,n-DICARBOXYLIC ACID MONO-(2-SULFATO-ETHYL)AMIDES THE UPJOHN COMPANY (US) 1989-01-26 WO claimed