SCHEMBL3475639

SCHEMBL3475639

COC(=O)C1CC2=CC(=O)CC[C@]2(C)C23OC2C[C@@]2(C)[C@@H](CC[C@]2(O)CCC(=O)O)[C@H]13

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.68
PGR P06401 5/20 0.68
AR P10275 4/20 0.68
NR3C2 P08235 2/20 0.68
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP17A1 P05093 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL3281837 1.00 NR3C1 (0.68) NR3C1PGRARNR3C2ALDH1A1
SCHEMBL6408531 1.00 NR3C1 (0.68) NR3C1PGRARNR3C2ALDH1A1
SCHEMBL4979442 1.00 NR3C1 (0.68) NR3C1PGRARNR3C2ALDH1A1
SCHEMBL3275715 1.00 NR3C1 (0.68) NR3C1PGRARNR3C2ALDH1A1
SCHEMBL3275721 1.00 NR3C1 (0.68) NR3C1PGRARNR3C2ALDH1A1
SCHEMBL4982376 1.00 NR3C1 (0.68) NR3C1PGRARNR3C2ALDH1A1
SCHEMBL6408534 1.00 NR3C1 (0.68) NR3C1PGRARNR3C2ALDH1A1
SCHEMBL3281843 1.00 NR3C1 (0.68) NR3C1PGRARNR3C2ALDH1A1
SCHEMBL4982380 1.00 NR3C1 (0.68) NR3C1PGRARNR3C2ALDH1A1
SCHEMBL6406521 0.93 NR3C1 (0.68) NR3C1PGRARNR3C2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215537-A1 Epoxy-steroidal aldosterone antagonist and beta-adrenergic antagonist combination therapy for treatment of congestive heart failure PHARMACIA CORPORATION 2005-09-29 US claimed
US-20040235809-A1 Epoxy steroidal aldosterone antagonist and beta-adremergic antagonist combination therepy for treatment of congestive heart failure PHARMACIA CORPORATION 2004-11-25 US claimed
US-20030220312-A1 Epoxy-steroidal aldosterone antagonist and calcium channel blocker combination therapy for treatment of cardiovascular disorders G.D. SEARLE & CO. 2003-11-27 US claimed
US-20030055027-A1 Epoxy-steroidal aldosterone antagonist and calcium channel blocker combination therapy for treatment of congestive heart failure G. D. SEARLE & CO. (US) 2003-03-20 US claimed
US-20020123485-A1 Epoxy steroidal aldosterone antagonist and beta-adrenergic antagonist combination therapy for treatment of congestive heart failure PHARMACIA CORPORATION 2002-09-05 US claimed
EP-0831910-B1 EPOXY-STEROIDAL ALDOSTERONE ANTAGONIST AND ANGIOTENSIN II ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF CONGESTIVE HEART FAILURE SEARLE & CO (US) 2001-11-21 EP claimed
EP-0831910-A1 EPOXY-STEROIDAL ALDOSTERONE ANTAGONIST AND ANGIOTENSIN II ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF CONGESTIVE HEART FAILURE G.D. SEARLE & CO. (US) 1998-04-01 EP claimed
US-20100204190-A1 NEW COMBINATIONS NOVARTIS PHARMACEUTICALS CORPORATION 2010-08-12 US disclosed
US-20090149431-A1 Eplerenone Drug Substance Having High Phase Purity BARTON KATHLEEN P 2009-06-11 US disclosed
US-20070123498-A1 Combination of organic compounds SHETTY SURAJ S 2007-05-31 US disclosed
US-20050267302-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate G.D. SEARLE & CO. (US) 2005-12-01 US disclosed
US-20050261261-A1 Eplerenone drug substance having high phase purity PHARMACIA CORPORATION (US) 2005-11-24 US disclosed
EP-1580193-A2 Eplerenone crystalline form Pharmacia Corporation (US) 2005-09-28 EP disclosed
US-20050159594-A1 Eplerenone crystal form exhibiting enhanced dissolution rate PHARMACIA CORPORATION (US) 2005-07-21 US disclosed
WO-2005039637-A2 COMBINATIONS OF AN ALDOSTERONE RECEPTOR ANTAGONIST, A DIURETIC AND AN ANGIOTENSIN BLOCKER NOVARTIS AG (CH) 2005-05-06 WO disclosed
EP-1505072-A2 Eplerenone crystalline form exhiniting enhanced dissolution rate Pharmacia Corporation (US) 2005-02-09 EP disclosed
US-20030083493-A1 Eplerenone drug substance having high phase purity BARTON KATHLEEN P (US) 2003-05-01 US disclosed
US-20020045746-A1 Eplerenone crystalline form PHARMACIA CORPORATION 2002-04-18 US disclosed
US-20020038021-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate PHARMACIA CORPORATION 2002-03-28 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 (14 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-20100204190-A1 NEW COMBINATIONS OTC, CYP11B2, OAT NR3C1 476/4885PGR 593/4885AR 1418/4885
US-20020045746-A1 Eplerenone crystalline form NR3C2, MC2R, HSD11B2 NR3C1 12/4885PGR 657/4885AR 28/4885
US-20050159594-A1 Eplerenone crystal form exhibiting enhanced dissolution rate NR3C2, MC2R, HSD11B2 NR3C1 19/4885PGR 197/4885AR 20/4885
US-20050267302-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate NR3C2, MC2R, HSD11B2 NR3C1 20/4885PGR 167/4885AR 23/4885
US-20020038021-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate NR3C2, MC2R, HSD11B2 NR3C1 20/4885PGR 167/4885AR 23/4885
US-20050261261-A1 Eplerenone drug substance having high phase purity NR3C2, MC2R, PTGER1 NR3C1 8/4885PGR 261/4885AR 14/4885
US-20030220312-A1 Epoxy-steroidal aldosterone antagonist and calcium channel blocker combination therapy for treatment of cardiovascular disorders NR3C2, PTGER4, PTGER1 NR3C1 76/4885PGR 646/4885AR 128/4885
US-20040235809-A1 Epoxy steroidal aldosterone antagonist and beta-adremergic antagonist combination therepy for treatment of congestive heart failure ADRB1, ADRB2, NR3C2 NR3C1 31/4885PGR 234/4885AR 112/4885
US-20020123485-A1 Epoxy steroidal aldosterone antagonist and beta-adrenergic antagonist combination therapy for treatment of congestive heart failure ADRB2, ADRB1, NR3C2 NR3C1 31/4885PGR 414/4885AR 120/4885
US-20030083493-A1 Eplerenone drug substance having high phase purity NR3C2, MC2R, PTGER1 NR3C1 8/4885PGR 261/4885AR 14/4885
US-20050215537-A1 Epoxy-steroidal aldosterone antagonist and beta-adrenergic antagonist combination therapy for treatment of congestive heart failure ADRB1, ADRB2, ADRB3 NR3C1 32/4885PGR 338/4885AR 76/4885
US-20070123498-A1 Combination of organic compounds OTC, OAT, CYP11B2 NR3C1 488/4885PGR 451/4885AR 936/4885
US-20030055027-A1 Epoxy-steroidal aldosterone antagonist and calcium channel blocker combination therapy for treatment of congestive heart failure PTGER1, KCNN4, HCN1 NR3C1 68/4885PGR 981/4885AR 280/4885
US-20090149431-A1 Eplerenone Drug Substance Having High Phase Purity NR3C2, MC2R, PTGER1 NR3C1 8/4885PGR 261/4885AR 14/4885

“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.