Methylprednisolone

Methylprednisolone

SCHEMBL7160264

C[C@@H]1C[C@@H]2[C@H](C(O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[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. 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 7/20 1.00
HIF1A Q16665 8/20 1.00
PGR P06401 7/20 1.00
CYP3A4 P08684 6/20 1.00
HSD17B10 Q99714 6/20 1.00
ABCB11 O95342 2/20 1.00
NR1I2 O75469 2/20 1.00
ALDH1A1 P00352 2/20 1.00
ABCC4 O15439 1/20 1.00
PDE4D Q08499 1/20 1.00
AR P10275 3/20 0.79
F2 P00734 1/20 0.79
CYP2C19 P33261 3/20 0.70
SERPINA6 P08185 2/20 0.70
NR3C2 P08235 2/20 0.70
TNF P01375 1/20 0.70
IL6 P05231 1/20 0.70
GLUL P15104 1/20 0.70
ADAM17 P78536 1/20 0.70
GPBAR1 Q8TDU6 1/20 0.70

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 SCHEMBL16221544 1.00 HIF1A (1.00) HIF1APGRNR3C1CYP3A4HSD17B10
Methylprednisolone SCHEMBL5084 1.00 HIF1A (1.00) HIF1APGRNR3C1CYP3A4HSD17B10
Methylprednisolone SCHEMBL143076 1.00 HIF1A (1.00) HIF1APGRNR3C1CYP3A4HSD17B10
Methylprednisolone SCHEMBL5085 1.00 HIF1A (1.00) HIF1APGRNR3C1CYP3A4HSD17B10
Methylprednisolone SCHEMBL12440040 1.00 HIF1A (1.00) HIF1APGRNR3C1CYP3A4HSD17B10
Methylprednisolone SCHEMBL541256 1.00 HIF1A (1.00) HIF1APGRNR3C1CYP3A4HSD17B10
Methylprednisolone SCHEMBL13046609 1.00 HIF1A (1.00) HIF1APGRNR3C1CYP3A4HSD17B10
Methylprednisolone SCHEMBL13300483 1.00 HIF1A (1.00) HIF1APGRNR3C1CYP3A4HSD17B10
Methylprednisolone SCHEMBL21145528 1.00 HIF1A (1.00) HIF1APGRNR3C1CYP3A4HSD17B10
Methylprednisolone SCHEMBL193216 1.00 HIF1A (1.00) HIF1APGRNR3C1CYP3A4HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020168775-A1 Determination of corticosteroids in human plasma using micromass LC/MS/MS/ PURDUE PHARMA L.P. 2002-11-14 US claimed
US-6541263-B2 Forming adduct with acetate compound; high pressure liquid chromatography EURO-CELTIQUE, S.A. LUXEMBOURG (LU) 2003-04-01 US disclosed
US-20020168775-A1 Determination of corticosteroids in human plasma using micromass LC/MS/MS/ PURDUE PHARMA L.P. 2002-11-14 US disclosed
US-4213977-A (17ALPHA)-2'-(4-FLUOROPHENYL)-2'H-PREGNA-2,4-DIEN-20-YNO-(3,2 -C)PYRAZOL-17-OL STERLING DRUG INC. (US) 1980-07-22 US disclosed