SCHEMBL4255035

SCHEMBL4255035

CC1(C(=O)O)CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@]3(O)CCC(=O)O)[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.44
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AR P10275 3/20 0.39
CYP19A1 P11511 4/20 0.39
LMNA P02545 2/20 0.39
PGR P06401 2/20 0.39
PDE4D Q08499 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
HSD17B10 Q99714 3/20 0.35
SHBG P04278 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SERPINA6 P08185 1/20 0.35
CYP3A4 P08684 1/20 0.35
PMP22 Q01453 1/20 0.35
KCNA1 Q09470 1/20 0.35

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
SCHEMBL4979738 0.84 TDP1 (0.40) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4978357 0.84 NR3C1 (0.61) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4978346 0.84 NR3C1 (0.61) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4983294 0.83 TDP1 (0.37) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4818843 0.81 NR3C1 (0.43) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4818856 0.81 NR3C1 (0.43) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4982043 0.79 NR3C1 (0.44) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4255031 0.79 NR3C1 (0.44) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4822515 0.79 NR3C1 (0.44) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4981552 0.79 NR3C1 (0.44) NR3C1TDP1MEN1KMT2AAR

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267302-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate G.D. SEARLE & CO. (US) 2005-12-01 US claimed
US-20050159594-A1 Eplerenone crystal form exhibiting enhanced dissolution rate PHARMACIA CORPORATION (US) 2005-07-21 US claimed
EP-1505072-A2 Eplerenone crystalline form exhiniting enhanced dissolution rate Pharmacia Corporation (US) 2005-02-09 EP claimed
US-20020038021-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate PHARMACIA CORPORATION 2002-03-28 US claimed
US-20090149431-A1 Eplerenone Drug Substance Having High Phase Purity BARTON KATHLEEN P 2009-06-11 US disclosed
EP-1289507-B1 USE OF AN ALDOSTERONE ANTAGONIST FOR THE TREATMENT OR PROPHYLAXIS OF ALDOSTERONE-MEDIATED PATHOGENIC EFFECTS PHARMACIA CORP (US) 2008-02-13 EP disclosed
US-20080027237-A1 Processes for preparations of 9,11-epoxy steroids and intermediates useful therein NG JOHN S 2008-01-31 US disclosed
EP-1148061-B1 Epoxidation process SEARLE LLC (US) 2007-10-17 EP disclosed
US-20070191324-A1 Methods for treatment or prophylaxis of aldosterone-mediated pathogenic effects in a subject using an epoxy-steroidal aldosterone antagonist WILLIAMS GORDON H 2007-08-16 US disclosed
EP-1303305-B1 EPOXY-STEROIDAL ALDOSTERONE ANTAGONIST AND CALCIUM CHANNEL BLOCKER COMBINATION THERAPY FOR TREATMENT OF CONGESTIVE HEART FAILURE PHARMACIA CORP (US) 2007-03-21 EP disclosed
US-7112669-B2 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein PHARMACIA CORPORATION (OF PFIZER, INC.) (US) 2006-09-26 US disclosed
EP-1303308-B1 ALDOSTERONE ANTAGONIST AND CYCLOOXYGENASE-2 INHIBITOR COMBINATION THERAPY TO PREVENT OR TREAT INFLAMMATION-RELATED CARDIOVASCULAR DISORDERS PHARMACIA CORP (US) 2006-09-06 EP disclosed
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 disclosed
EP-0944644-B1 PROCESSES FOR PREPARATION OF 3-KETO-7alpha-ALKOXYCARBONYL-delta-4,5- STEROIDS AND INTERMEDIATES USEFUL THEREIN SEARLE & CO (US) 2002-10-02 EP disclosed
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 disclosed
US-20020111337-A1 Use of an aldosterone receptor antagonist to improve cognitive function PHARMACIA CORPORATION 2002-08-15 US disclosed
EP-1223174-A2 Processes for preparation of 3-keto-7alpha-alkoxycarbonyl-delta-4,5- steroids and intermediates useful therein G.D. SEARLE & CO. (US) 2002-07-17 EP disclosed
US-20020042405-A1 Epoxy-steroidal aldosterone antagonist and calcium channel blocker combination therapy for treatment of congestive heart failure SCHUH JOSEPH R (US) 2002-04-11 US disclosed
US-20020038021-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate PHARMACIA CORPORATION 2002-03-28 US disclosed
EP-1148061-A2 Process for preparation of 9, 11- epoxy steroids and intermediates useful therein G.D. SEARLE & CO. (US) 2001-10-24 EP 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 (10 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-20020111337-A1 Use of an aldosterone receptor antagonist to improve cognitive function NR3C2, MC2R, AGTR1 NR3C1 8/4885TDP1 2608/4885MEN1 3115/4885
US-20050159594-A1 Eplerenone crystal form exhibiting enhanced dissolution rate NR3C2, MC2R, HSD11B2 NR3C1 19/4885TDP1 4507/4885MEN1 1755/4885
US-20050267302-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate NR3C2, MC2R, HSD11B2 NR3C1 20/4885TDP1 4447/4885MEN1 1812/4885
US-20020038021-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate NR3C2, MC2R, HSD11B2 NR3C1 20/4885TDP1 4447/4885MEN1 1812/4885
US-20070191324-A1 Methods for treatment or prophylaxis of aldosterone-mediated pathogenic effects in a subject using an epoxy-steroidal aldosterone antagonist NR3C2, CYP21A2, REN NR3C1 20/4885TDP1 4077/4885MEN1 1291/4885
US-20020123485-A1 Epoxy steroidal aldosterone antagonist and beta-adrenergic antagonist combination therapy for treatment of congestive heart failure ADRB2, ADRB1, NR3C2 NR3C1 31/4885TDP1 4865/4885MEN1 2795/4885
US-20080027237-A1 Processes for preparations of 9,11-epoxy steroids and intermediates useful therein CYP4A11, CYP11B1, CYP17A1 NR3C1 89/4885TDP1 4310/4885MEN1 1070/4885
US-20030055027-A1 Epoxy-steroidal aldosterone antagonist and calcium channel blocker combination therapy for treatment of congestive heart failure PTGER1, KCNN4, HCN1 NR3C1 68/4885TDP1 4583/4885MEN1 1738/4885
US-20020042405-A1 Epoxy-steroidal aldosterone antagonist and calcium channel blocker combination therapy for treatment of congestive heart failure KCNN4, NR3C2, EDNRA NR3C1 88/4885TDP1 4882/4885MEN1 1977/4885
US-20090149431-A1 Eplerenone Drug Substance Having High Phase Purity NR3C2, MC2R, PTGER1 NR3C1 8/4885TDP1 4324/4885MEN1 1415/4885

“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.