SCHEMBL13655941

SCHEMBL13655941

CCOC(=O)O[C@]1(C(=O)COC(=O)CCCO[N+](=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
▸ NR3C1 P04150 8/20 0.78
▸ PGR P06401 7/20 0.78
▸ HIF1A Q16665 7/20 0.78
▸ LMNA P02545 3/20 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
▸ NR1I2 O75469 2/20 0.65
▸ ABCC3 O15438 1/20 0.65
▸ NR3C2 P08235 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ AR P10275 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
▸ ADAM17 P78536 1/20 0.50
▸ GPBAR1 Q8TDU6 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
SCHEMBL13656303 0.98 NR3C1 (0.77) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL13662160 0.97 NR3C1 (0.76) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL13656306 0.96 NR3C1 (0.80) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL12538409 0.94 NR3C1 (0.68) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL13656308 0.93 NR3C1 (0.75) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL13656313 0.93 NR3C1 (0.75) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL13656305 0.93 NR3C1 (0.84) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL13656294 0.92 NR3C1 (0.78) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL12538411 0.92 NR3C1 (0.65) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11438434 0.92 PGR (0.87) NR3C1PGRHIF1ALMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294769-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS FERRER INTERNACIONAL S.A. (ES) 2011-12-01 — — US disclosed
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 (5 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 NR3C1 1/4885PGR 161/4885HIF1A 3438/4885
US-20090264393-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 NR3C1 1/4885PGR 161/4885HIF1A 3438/4885
US-20110294769-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 NR3C1 1/4885PGR 161/4885HIF1A 3438/4885
US-20090264394-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 NR3C1 1/4885PGR 161/4885HIF1A 3438/4885
US-20090258849-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 NR3C1 1/4885PGR 161/4885HIF1A 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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