SCHEMBL186333

SCHEMBL186333

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)COC(=O)c1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.70
▸ PGR P06401 4/20 0.70
▸ LMNA P02545 2/20 0.66
▸ NR3C1 P04150 10/20 0.64
▸ CYP3A4 P08684 3/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ AR P10275 2/20 0.64
▸ TNF P01375 2/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ IL6 P05231 1/20 0.64
▸ SERPINA6 P08185 1/20 0.64
▸ NR3C2 P08235 1/20 0.64
▸ GLUL P15104 1/20 0.64
▸ ADAM17 P78536 1/20 0.64
▸ GPBAR1 Q8TDU6 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ KMT2A Q03164 1/20 0.55
▸ IKBKB O14920 1/20 0.53
▸ JAK2 O60674 1/20 0.53
▸ ROCK2 O75116 1/20 0.53

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
SCHEMBL7573129 1.00 HIF1A (0.70) HIF1APGRLMNANR3C1CYP3A4
SCHEMBL13692238 1.00 HIF1A (0.70) HIF1APGRLMNANR3C1CYP3A4
SCHEMBL29528606 0.94 PGR (0.70) HIF1APGRLMNANR3C1CYP3A4
SCHEMBL13655947 0.92 HIF1A (0.70) HIF1APGRLMNANR3C1CYP3A4
SCHEMBL13655915 0.92 HIF1A (0.67) HIF1APGRLMNANR3C1CYP3A4
SCHEMBL13692183 0.90 PGR (0.78) HIF1APGRLMNANR3C1CYP3A4
SCHEMBL13692244 0.90 HIF1A (0.58) HIF1APGRLMNANR3C1CYP3A4
SCHEMBL4091992 0.90 HIF1A (0.58) HIF1APGRLMNANR3C1CYP3A4
Hydrochloric Acid SCHEMBL5972770 0.90 HIF1A (0.58) HIF1APGRLMNANR3C1CYP3A4
SCHEMBL13694213 0.89 HIF1A (0.71) HIF1APGRLMNANR3C1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392334-B1 Nitrate esters of corticoid compounds useful as diuretics LIU CHAO (CN) 2016-03-30 — — EP claimed
US-8716268-B2 Nitrate esters of corticoid compounds useful as diuretics LIU CHAO (CN) 2014-05-06 — — US claimed
US-20060052594-A1 New corticosteroids NICOX S.A. (FR) 2006-03-09 — — US claimed
EP-2118120-B1 NITRIC OXIDE RELEASING STEROIDS NICOX SA (FR) 2016-10-05 — — EP disclosed
EP-2392334-B1 Nitrate esters of corticoid compounds useful as diuretics LIU CHAO (CN) 2016-03-30 — — EP disclosed
US-8716268-B2 Nitrate esters of corticoid compounds useful as diuretics LIU CHAO (CN) 2014-05-06 — — US disclosed
EP-1395544-B1 METHODS OF MAKING 21- 4'-(NITROOXYALKYL) BENZOATE CORTICOSTEROID DERIVATIVES AND INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF NICOX SA (FR) 2012-01-04 — — EP disclosed
US-20090221543-A1 NEW CORTICOSTEROIDS NICOX S A. (FR) 2009-09-03 — — US disclosed
EP-1395544-A4 METHODS OF MAKING 21- 4'-(NITROOXYALKYL) BENZOATE CORTICOSTEROID DERIVATIVES AND INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF NICOX SA (FR) 2009-05-27 — — EP disclosed
US-20060052594-A1 New corticosteroids NICOX S.A. (FR) 2006-03-09 — — US disclosed
EP-1470150-A2 CORTICOSTEROIDS NITRATE DERIVATIVES Nicox S.A. (FR) 2004-10-27 — — EP disclosed
EP-1395544-A1 METHODS OF MAKING 21- 4'-(NITROOXYALKYL) BENZOATE] CORTICOSTEROID DERIVATIVES AND INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF Scynexis Chemistry and Automation, Inc. (US) 2004-03-10 — — EP disclosed
US-6696592-B2 FORMING REDUCED SIDE EFFECTS DERIVATIVE NICOX-S.A. (FR) 2004-02-24 — — US disclosed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 — — EP disclosed
US-20030153545-A1 Methods of making 21-[4'-(nitrooxyalkyl)benzoate] corticosteroid derivatives and intermediates useful in the synthesis thereof NICOX S.A. (FR) 2003-08-14 — — US disclosed
WO-2003064443-A2 NEW CORTICOSTEROIDS NICOX S.A. (FR) 2003-08-07 — — WO disclosed
WO-2002094942-A1 METHOD OF PURIFYING POLYCYCLIC DYES OPTIVA, INC. (US) 2002-11-28 — — WO disclosed
WO-2002094758-A1 METHODS OF MAKING 21-[4'-(NITROOXYALKYL) BENZOATE] CORTICOSTEROID DERIVATIVES AND INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF NICOX S. A. (FR) 2002-11-28 — — WO 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-20090221543-A1 NEW CORTICOSTEROIDS CYP11B1, NR3C1, NR3C2 HIF1A 1741/4885PGR 153/4885LMNA 4094/4885
US-20060052594-A1 New corticosteroids CYP11B1, NR3C1, NR3C2 HIF1A 1741/4885PGR 153/4885LMNA 4094/4885
US-20030153545-A1 Methods of making 21-[4'-(nitrooxyalkyl)benzoate] corticosteroid derivatives and intermediates useful in the synthesis thereof CYP11B1, CYP17A1, CYP21A2 HIF1A 3244/4885PGR 486/4885LMNA 3051/4885

“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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