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Sugi Predict / Compounds / Rofleponide

Rofleponide

Rofleponide

SCHEMBL2853947

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Rofleponide. 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 0.59
▸ CYP3A4 P08684 9/20 0.59
▸ PGR P06401 6/20 0.59
▸ LMNA P02545 5/20 0.59
▸ HIF1A Q16665 4/20 0.59
▸ AR P10275 3/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ ABCB11 O95342 2/20 0.59
▸ ABCC3 O15438 1/20 0.59
▸ ABCC4 O15439 1/20 0.59
▸ IL5 P05113 1/20 0.59
▸ NR3C2 P08235 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ MMP9 P14780 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ THPO P40225 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59

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
Desonide SCHEMBL8649633 0.89 NR3C1 (0.69) CYP3A4NR3C1PGRLMNAHIF1A
Rofleponide SCHEMBL4098718 0.84 NR3C1 (0.64) CYP3A4NR3C1PGRLMNAHIF1A
Triamcinolone Acetonide SCHEMBL9987506 0.84 CYP3A4 (0.75) CYP3A4NR3C1PGRLMNAHIF1A
Flunisolide SCHEMBL2393174 0.81 NR3C1 (0.79) CYP3A4NR3C1PGRLMNAHIF1A
Dexbudesonide SCHEMBL5655286 0.81 NR3C1 (0.88) CYP3A4NR3C1PGRLMNAHIF1A
Dexbudesonide SCHEMBL8159866 0.81 NR3C1 (0.78) CYP3A4NR3C1PGRLMNAHIF1A
Fluocinolone Acetonide SCHEMBL8451856 0.81 NR3C1 (0.60) CYP3A4NR3C1PGRLMNAHIF1A
Dexbudesonide SCHEMBL8001479 0.80 CYP3A4 (0.67) CYP3A4NR3C1PGRLMNAHIF1A
Fluocinolone Acetonide SCHEMBL8450831 0.79 NR3C1 (0.77) CYP3A4NR3C1PGRLMNAHIF1A
Rofleponide SCHEMBL23803954 0.78 NR3C1 (0.68) CYP3A4NR3C1PGRLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253339-B1 A process for producing stents and corresponding stent SORIN BIOMEDICA CARDIO SRL (IT) 2011-12-28 — — EP disclosed
US-8084076-B2 Process for producing stents and corresponding stents SORIN BIOMEDICA CARDIO S.R.L. (IT) 2011-12-27 — — US disclosed
EP-2253339-A1 A process for producing stents and corresponding stent Sorin Biomedica Cardio S.r.l. (IT) 2010-11-24 — — EP disclosed
EP-1449546-B1 A process for producing stents and corresponding stent SORIN BIOMEDICA CARDIO SRL (IT) 2010-10-27 — — EP disclosed
US-20080140186-A1 PROCESS FOR PRODUCING STENTS AND CORRESPONDING STENTS SORIN BIOMEDICA CARDIO S.R.L. (IT) 2008-06-12 — — US disclosed
US-20040167612-A1 Process for producing stents and corresponding stents SORIN BIOMEDICA CARDIO S.R.L. (IT) 2004-08-26 — — US disclosed
EP-1449546-A1 A process for producing stents and corresponding stent SORIN BIOMEDICA S.p.A. (IT) 2004-08-25 — — EP disclosed
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