Sugi Predict

Sugi Predict / Compounds / Methylprednisolone

Methylprednisolone

Methylprednisolone

SCHEMBL5507451

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12.C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

nearest known ligand 0.76

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 8/20 0.76
▸ HSD17B10 Q99714 6/20 0.76
▸ HIF1A Q16665 6/20 0.76
▸ PGR P06401 5/20 0.76
▸ CYP3A4 P08684 4/20 0.76
▸ ABCB11 O95342 2/20 0.76
▸ ALDH1A1 P00352 2/20 0.76
▸ ABCC4 O15439 1/20 0.76
▸ NR1I2 O75469 1/20 0.76
▸ PDE4D Q08499 1/20 0.76
▸ AR P10275 2/20 0.73
▸ SERPINA6 P08185 2/20 0.73
▸ TNF P01375 1/20 0.73
▸ IL6 P05231 1/20 0.73
▸ NR3C2 P08235 1/20 0.73
▸ GLUL P15104 1/20 0.73
▸ ADAM17 P78536 1/20 0.73
▸ GPBAR1 Q8TDU6 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ KMT2A Q03164 2/20 0.71

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 SCHEMBL262976 0.99 HSD17B10 (0.78) NR3C1HSD17B10HIF1APGRCYP3A4
Methylprednisolone SCHEMBL4274907 0.93 NR3C1 (0.87) NR3C1HSD17B10HIF1APGRCYP3A4
Methylprednisolone SCHEMBL17223638 0.93 NR3C1 (0.70) NR3C1HSD17B10HIF1APGRCYP3A4
Prednisone SCHEMBL992150 0.93 HIF1A (0.85) NR3C1HSD17B10HIF1APGRCYP3A4
Methylprednisolone SCHEMBL8902882 0.90 HSD17B10 (0.73) NR3C1HSD17B10HIF1APGRCYP3A4
Methylprednisolone SCHEMBL5084 0.87 HIF1A (1.00) NR3C1HSD17B10HIF1APGRCYP3A4
Methylprednisolone SCHEMBL541256 0.87 HIF1A (1.00) NR3C1HSD17B10HIF1APGRCYP3A4
Methylprednisolone SCHEMBL21145528 0.87 HIF1A (1.00) NR3C1HSD17B10HIF1APGRCYP3A4
Methylprednisolone SCHEMBL13046609 0.87 HIF1A (1.00) NR3C1HSD17B10HIF1APGRCYP3A4
Methylprednisolone SCHEMBL143076 0.87 HIF1A (1.00) NR3C1HSD17B10HIF1APGRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3374369-A1 POLYETHYLENE GLYCOL-CONJUGATED GLUCOCORTICOID PRODRUGS AND COMPOSITIONS AND METHODS THEREOF Board of Regents of the University of Nebraska (US) 2018-09-19 — — EP claimed
WO-2017083794-A1 POLYETHYLENE GLYCOL-CONJUGATED GLUCOCORTICOID PRODRUGS AND COMPOSITIONS AND METHODS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2017-05-18 — — WO claimed
EP-3442997-A2 FGF21 C-TERMINAL PEPTIDE OPTIMIZATION Indiana University Research & Technology Corporation (US) 2019-02-20 — — EP disclosed
EP-3374369-A1 POLYETHYLENE GLYCOL-CONJUGATED GLUCOCORTICOID PRODRUGS AND COMPOSITIONS AND METHODS THEREOF Board of Regents of the University of Nebraska (US) 2018-09-19 — — EP disclosed
WO-2017210242-A1 INSULIN-NUCLEAR HORMONE CONJUGATES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-12-07 — — WO disclosed
WO-2017180988-A2 FGF21 C-TERMINAL PEPTIDE OPTIMIZATION INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-10-19 — — WO disclosed
WO-2017083794-A1 POLYETHYLENE GLYCOL-CONJUGATED GLUCOCORTICOID PRODRUGS AND COMPOSITIONS AND METHODS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2017-05-18 — — WO disclosed
EP-1850855-A2 COMPOUNDS AND USES THEREOF Combinatorx, Incorporated (US) 2007-11-07 — — EP disclosed
EP-1562627-A4 CORTICOSTEROID CONJUGATES AND USES THEREOF MCLEAN HOSPITAL CORP (US) 2006-11-02 — — EP disclosed
WO-2006088786-A2 COMPOUNDS AND USES THEREOF COMBINATORX, INCORPORATED (US) 2006-08-24 — — WO disclosed
EP-1562627-A2 CORTICOSTEROID CONJUGATES AND USES THEREOF The McLean Hospital Corporation (US) 2005-08-17 — — EP disclosed
WO-2004017904-A2 CORTICOSTEROID CONJUGATES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2004-03-04 — — WO disclosed