SCHEMBL13816837

SCHEMBL13816837

CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)OCCN(C)C)O1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 10/20 0.74
▸ PGR P06401 6/20 0.74
▸ CYP3A4 P08684 4/20 0.74
▸ HIF1A Q16665 4/20 0.74
▸ LMNA P02545 3/20 0.74
▸ CYP2C9 P11712 2/20 0.74
▸ ABCC3 O15438 1/20 0.74
▸ ABCC4 O15439 1/20 0.74
▸ ABCB11 O95342 1/20 0.74
▸ IL5 P05113 1/20 0.74
▸ NR3C2 P08235 1/20 0.74
▸ AR P10275 1/20 0.74
▸ CHRM1 P11229 1/20 0.74
▸ MMP9 P14780 1/20 0.74
▸ NFKB1 P19838 1/20 0.74
▸ THPO P40225 1/20 0.74
▸ SMN1; SMN2 Q16637 1/20 0.74
▸ HSD17B10 Q99714 1/20 0.74
▸ BLM P54132 1/20 0.74
▸ PMP22 Q01453 1/20 0.74

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
SCHEMBL14001451 1.00 NR3C1 (0.74) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL13816836 0.91 NR3C1 (0.75) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL21152812 0.91 NR3C1 (0.74) NR3C1PGRCYP3A4HIF1ALMNA
Budesonide SCHEMBL4447873 0.90 NR3C1 (0.82) NR3C1PGRCYP3A4HIF1ALMNA
Dexbudesonide SCHEMBL4447872 0.90 NR3C1 (0.82) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL5396842 0.90 NR3C1 (0.81) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL15507523 0.90 NR3C1 (0.72) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL21152548 0.90 NR3C1 (0.74) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL21153649 0.90 NR3C1 (0.74) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL7735898 0.89 ALDH1A1 (0.84) NR3C1PGRCYP3A4HIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710036-B2 Carbonate and carbamate modified forms of glucocorticoids in combination with β2 adrenergic agonists SUNOVION PHARMACEUTICALS INC. (US) 2014-04-29 — — US disclosed
US-8710036-B2 Carbonate and carbamate modified forms of glucocorticoids in combination with β2 adrenergic agonists SUNOVION PHARMACEUTICALS INC. (US) 2014-04-29 — — US disclosed
US-20130244988-A1 CARBONATE AND CARBAMATE MODIFIED FORMS OF GLUCOCORTICOIDS IN COMBINATION WITH B2 ADRENERGIC AGONISTS SUNOVION PHARMACEUTICALS INC. (US) 2013-09-19 — — US disclosed
US-20130244988-A1 CARBONATE AND CARBAMATE MODIFIED FORMS OF GLUCOCORTICOIDS IN COMBINATION WITH B2 ADRENERGIC AGONISTS SUNOVION PHARMACEUTICALS INC. (US) 2013-09-19 — — US disclosed
US-8445470-B2 Carbonate and carbamate modified forms of glucocorticoids in combination with B2 adrenergic agonists SUNOVION PHARMACEUTICALS INC. (US) 2013-05-21 — — US disclosed
US-20090163456-A1 CARBONATE AND CARBAMATE MODIFIED FORMS OF GLUCOCORTICOIDS IN COMBINATION WITH B2 ADRENERGIC AGONISTS SEPRACOR INC. (US) 2009-06-25 — — US disclosed
US-20090163456-A1 CARBONATE AND CARBAMATE MODIFIED FORMS OF GLUCOCORTICOIDS IN COMBINATION WITH B2 ADRENERGIC AGONISTS SEPRACOR INC. (US) 2009-06-25 — — US disclosed
US-7468362-B2 Carbonate and carbamate modified forms of glucocorticoids in combination with β2 adrenergic agonists SEPRACOR INC. (US) 2008-12-23 — — US disclosed
US-20080103119-A1 CARBONATE AND CARBAMATE MODIFIED FORMS OF GLUCOCORTICOIDS IN COMBINATION WITH B2 ADRENERGIC AGONISTS SEPRACOR INC. (US) 2008-05-01 — — US disclosed
US-7253156-B2 Carbonate and carbamate modified forms of glucocorticoids in combination with B2 adrenergic agonists SEPRACOR INC. (US) 2007-08-07 — — US disclosed
US-7253156-B2 Carbonate and carbamate modified forms of glucocorticoids in combination with B2 adrenergic agonists SEPRACOR INC. (US) 2007-08-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080103119-A1 CARBONATE AND CARBAMATE MODIFIED FORMS OF GLUCOCORTICOIDS IN COMBINATION WITH B2 ADRENERGIC AGONISTS ADRB2, ADRA2C, NR3C2 NR3C1 12/4885PGR 449/4885CYP3A4 698/4885
US-20130244988-A1 CARBONATE AND CARBAMATE MODIFIED FORMS OF GLUCOCORTICOIDS IN COMBINATION WITH B2 ADRENERGIC AGONISTS ADRB2, CHRM2, NR3C2 NR3C1 10/4885PGR 443/4885CYP3A4 698/4885
US-20090163456-A1 CARBONATE AND CARBAMATE MODIFIED FORMS OF GLUCOCORTICOIDS IN COMBINATION WITH B2 ADRENERGIC AGONISTS ADRB2, CHRM2, NR3C2 NR3C1 10/4885PGR 443/4885CYP3A4 698/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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