SCHEMBL13659802

SCHEMBL13659802

CCOC(=O)O[C@]1(C(=O)COC(=O)CCCCON(O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.78
▸ NR3C1 P04150 7/20 0.78
▸ HIF1A Q16665 6/20 0.78
▸ LMNA P02545 2/20 0.78
▸ CYP3A4 P08684 2/20 0.78
▸ USP2 O75604 1/20 0.78
▸ CYP2D6 P10635 1/20 0.78
▸ CYP2C9 P11712 1/20 0.78
▸ ABCB11 O95342 2/20 0.65
▸ ABCC3 O15438 1/20 0.65
▸ NR1I2 O75469 1/20 0.65
▸ AR P10275 2/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ NR3C2 P08235 5/20 0.51
▸ HSD17B10 Q99714 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TNF P01375 1/20 0.50
▸ IL6 P05231 1/20 0.50
▸ SERPINA6 P08185 1/20 0.50
▸ GLUL P15104 1/20 0.50

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
SCHEMBL13659803 0.99 PGR (0.77) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL13659805 0.98 PGR (0.79) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL13659800 0.95 NR3C1 (0.81) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL13659798 0.93 NR3C1 (0.76) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL12562913 0.93 PGR (0.67) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL12562918 0.93 PGR (0.66) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL13659796 0.92 NR3C1 (0.76) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL13659801 0.92 NR3C1 (0.85) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL12562939 0.92 PGR (0.68) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL11438434 0.92 PGR (0.87) PGRNR3C1HIF1ALMNACYP3A4

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-20090264393-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NICOX S.A. (FR) 2009-10-22 — — US disclosed
US-20090264394-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NICOX S.A. (FR) 2009-10-22 — — US disclosed
US-20090258849-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NICOX S.A. 2009-10-15 — — US disclosed
US-20080221073-A1 Nitrooxy Derivatives of Glucocorticoids NICOX S.A. (FR) 2008-09-11 — — 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 (4 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-20080221073-A1 Nitrooxy Derivatives of Glucocorticoids NR3C1, NR3C2, NR5A1 PGR 161/4885NR3C1 1/4885HIF1A 3438/4885
US-20090264393-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 PGR 161/4885NR3C1 1/4885HIF1A 3438/4885
US-20090264394-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 PGR 161/4885NR3C1 1/4885HIF1A 3438/4885
US-20090258849-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 PGR 161/4885NR3C1 1/4885HIF1A 3438/4885

“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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