Methylprednisolone Hemisuccinate

Methylprednisolone Hemisuccinate

SCHEMBL2482645

C[C@H]1C[C@@H]2[C@H](C(O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCC(=O)O)[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Methylprednisolone Hemisuccinate. 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 4/20 1.00
CYP3A4 P08684 5/20 0.81
PGR P06401 4/20 0.81
AR P10275 2/20 0.81
F2 P00734 1/20 0.81
HIF1A Q16665 10/20 0.73
HSD17B10 Q99714 4/20 0.73
ABCB11 O95342 3/20 0.73
ALDH1A1 P00352 1/20 0.73
ABCC4 O15439 1/20 0.73
NR1I2 O75469 1/20 0.73
PDE4D Q08499 1/20 0.73
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
KMT2A Q03164 1/20 0.56
TNF P01375 1/20 0.52
IL6 P05231 1/20 0.52
SERPINA6 P08185 1/20 0.52
NR3C2 P08235 1/20 0.52
GLUL P15104 1/20 0.52

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 Hemisuccinate SCHEMBL7915 1.00 NR3C1 (1.00) NR3C1CYP3A4PGRARF2
Methylprednisolone Hemisuccinate SCHEMBL29053159 0.99 NR3C1 (0.98) NR3C1CYP3A4PGRARF2
SCHEMBL10400906 0.95 NR3C1 (0.91) NR3C1CYP3A4PGRARF2
SCHEMBL14867434 0.95 NR3C1 (0.90) NR3C1CYP3A4PGRARF2
SCHEMBL14867431 0.95 NR3C1 (0.90) NR3C1CYP3A4PGRARF2
Methylprednisolone Hemisuccinate SCHEMBL1169509 0.92 NR3C1 (0.85) NR3C1CYP3A4PGRARF2
Methylprednisolone Hemisuccinate SCHEMBL10953512 0.92 NR3C1 (0.85) NR3C1CYP3A4PGRARF2
Methylprednisolone Hemisuccinate SCHEMBL40947 0.92 NR3C1 (0.85) NR3C1CYP3A4PGRARF2
SCHEMBL10910221 0.92 NR3C1 (0.85) NR3C1CYP3A4PGRARF2
SCHEMBL11044631 0.91 NR3C1 (0.84) 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

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108366-B1 Idebenone for the treatment of respiratory illness in muscular dystrophy SANTHERA PHARMACEUTICALS CH (CH) 2011-10-19 EP claimed
EP-0217287-B1 [(2,3,9,9a-tetrahydro-3-oxo-9a-substituted-1H-fluoren-7-yl)-oxy]ethanimidamides and [(2,3,9,9a-tetrahydro-3-oxo-9a-substituted-1H-fluoren-7yl)oxy]ethanimidic acid hydrazides, their derivatives and their salts MERCK & CO. INC. (US) 1991-06-26 EP disclosed
US-4835313-A BRAIN AND NERVOUS SYSTEM DISORDERS; EDEMA MERCK & CO., INC. (US) 1989-05-30 US disclosed
US-4797391-A TREATMENT OF TRAUMA TO THE BRAIN MERCK & CO., INC. (US) 1989-01-10 US disclosed
US-4782073-A BRAIN EDEMA MERCK & CO., INC. (US) 1988-11-01 US disclosed
US-4777281-A ANTIEDEMIC AGENTS; BRAIN INJURIES MERCK & CO., INC. (US) 1988-10-11 US disclosed
US-4775695-A TREATMENT OF BRAIN INJURIES AND EDEMA MERCK & CO., INC. (US) 1988-10-04 US disclosed
US-4771076-A TREATMENT OF BRAIN INJURY AND EDEMA MERCK & CO., INC. (US) 1988-09-13 US disclosed
US-4769370-A BRAIN INJURY TREATMENT MERCK & CO., INC. (US) 1988-09-06 US disclosed
US-4754061-A TREATMENT OF BRAIN INJURY MERCK & CO., INC. (US) 1988-06-28 US disclosed
US-4605663-A BRAIN TRAUMA MERCK & CO., INC. (US) 1986-08-12 US disclosed
US-4604403-A Use of substituted-3(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-1H-pyrrole-2,5-diones for treating grey matter edema MERCK & CO., INC. (US) 1986-08-05 US disclosed
US-4604396-A TREATMENT OF GREY MATTER EDEMAS MERCK & CO., INC. (US) 1986-08-05 US disclosed
US-4596821-A Brain disorders MERCK & CO., INC. (US) 1986-06-24 US disclosed
US-4579869-A BRAIN INJURIES, ANTIISCHEMIC AGENTS MERCK & CO., INC. (US) 1986-04-01 US disclosed
US-4356313-A [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acid esters and their analogs, the parent acids and their salts MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4356314-A [5,6,9A-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids, their analogs, esters, salts, and derivatives MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4337354-A BRAIN AND SPINAL CHORD DAMAGE MERCK & CO., INC. (US) 1982-06-29 US disclosed
US-4317922-A [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids and their analogs, esters, salts and derivatives MERCK & CO., INC. (US) 1982-03-02 US disclosed
US-4316043-A ANTIEDEMIC AGENTS MERCK & CO., INC. (US) 1982-02-16 US disclosed