SCHEMBL3385849

SCHEMBL3385849

C[C@]12CC[C@H]3[C@@H](C=CC4=CCCC[C@@]43C)[C@@H]1CC[C@@H]2CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ AR P10275 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ SRD5A2 P31213 1/20 0.43
▸ CYP19A1 P11511 9/20 0.38
▸ CYP17A1 P05093 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PDE4D Q08499 1/20 0.36

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
SCHEMBL5487403 1.00 PGR (0.44) PGRALDH1A1CYP3A4CYP2C19AR
SCHEMBL1901373 0.83 ALDH1A1 (0.42) PGRALDH1A1CYP3A4CYP2C19AR
SCHEMBL8396014 0.82 PGR (0.66) PGRALDH1A1CYP3A4CYP2C19AR
SCHEMBL11326826 0.82 PGR (0.66) PGRALDH1A1CYP3A4CYP2C19AR
SCHEMBL19628769 0.82 PGR (0.66) PGRALDH1A1CYP3A4CYP2C19AR
SCHEMBL10793803 0.81 UGT2B7 (0.40) PGRALDH1A1CYP3A4CYP2C19AR
SCHEMBL3356237 0.80 SRD5A2 (0.41) PGRALDH1A1CYP3A4CYP2C19AR
SCHEMBL3884305 0.79 CYP17A1 (0.45) PGRALDH1A1CYP3A4CYP2C19AR
SCHEMBL6510753 0.79 PGR (0.46) PGRALDH1A1CYP3A4CYP2C19AR
SCHEMBL7349628 0.79 PGR (0.46) PGRALDH1A1CYP3A4CYP2C19AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505983-A2 ALDOSTERONE BLOCKER THERAPY TO PREVENT OR TREAT INFLAMMATION-RELATED DISORDERS Pharmacia Corporation (US) 2005-02-16 — — EP claimed
EP-1469884-A1 ALDOSTERONE ANTAGONIST AND NON-STEROIDAL ANTI-INFLAMMATORY AGENT COMBINATION THERAPY TO PREVENT OR TREAT CARDIOVASCULAR DISORDERS Pharmacia Corporation (US) 2004-10-27 — — EP claimed
EP-1469862-A2 ALDOSTERONE RECEPTOR ANTAGONIST AND ALPHA-ADRENERGIC MODULATING AGENT COMBINATION THERAPY FOR PREVENTION OR TREATMENT OF CARDIOVASCULAR CONDITIONS Pharmacia Corporation (US) 2004-10-27 — — EP claimed
WO-2004082636-A2 COMBINATION OF AN ALDOSTERONE RECEPTOR ANTAGONIST AND A NEUTRAL ENDOPEPTIDASE INHIBITOR PHARMACIA CORPORATION (US) 2004-09-30 — — WO claimed
WO-2004082637-A2 COMBINATION OF AN ALDOSTERONE RECEPTOR ANTAGONIST AND AN ENDOTHELIN RECEPTOR ANTAGONIST AND/OR ENDOTHELIN CONVERTING ENZYME INHIBITOR PHARMACIA CORPORATION (US) 2004-09-30 — — WO claimed
EP-1455795-A1 METHOD OF TREATING OPHTHALMIC DISORDERS WITH EPOXY-STEROIDAL ALDOSTERONE RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2004-09-15 — — EP claimed
WO-2004073602-A2 ALDOSTERONE BLOCKER THERAPY TO PREVENT OR TREAT INFLAMMATION-RELATED DISORDERS PHARMACIA CORPORATION (US) 2004-09-02 — — WO claimed
US-20040102424-A1 Methods for the treatment or prophylaxis of aldosterone-mediated pathogenic effects in a subject using an epoxy-steroidal aldosterone antagonist G.D. SEARLE & CO. 2004-05-27 — — US claimed
US-20040053903-A1 Method to treat cardiofibrosis with a combination therapy of an angiotensin II antagonist and an epoxy-steroidal aldosterone antagonist G.D. SEARLE & CO. 2004-03-18 — — US claimed
US-20040037806-A1 Aldosterone blocker therapy to prevent or treat inflammation-related disorders PHARMACIA CORPORATION 2004-02-26 — — US claimed
WO-2002009761-A2 EPOXY-STEROIDAL ALDOSTERONE ANTAGONIST AND CALCIUM CHANNEL BLOCKER COMBINATION THERAPY FOR TREATMENT OF CONGESTIVE HEART FAILURE PHARMACIA CORPORATION (US) 2002-02-07 — — WO claimed
WO-2002009760-A2 EPOXY-STEROIDAL ALDOSTERONE ANTAGONIST AND BETA-ADRENERGIC ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF CONGESTIVE HEART FAILURE PHARMACIA CORPORATION (US) 2002-02-07 — — WO claimed
WO-2001095893-A1 USE OF AN EPOXY-STEROIDAL ALDOSTERONE ANTAGONIST FOR THE TREATMENT OR PROPHYLAXIS OF ALDOSTERONE-MEDIATED PATHOGENIC EFFECTS PHARMACIA CORPORATION (US) 2001-12-20 — — WO 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-1126880-A2 COMBINATION THERAPY OF ANGIOTENSIN CONVERTING ENZYME INHIBITOR AND ALDOSTERONE ANTAGONIST FOR REDUCING MORBIDITY AND MORTALITY FROM CARDIOVASCULAR DISEASE G.D. SEARLE & CO. (US) 2001-08-29 — — EP claimed
WO-2001034132-A2 USE OF AN ALDOSTERONE ANTAGONIST FOR TREATING RESTENOSIS PHARMACIA CORPORATION (US) 2001-05-17 — — WO claimed
WO-2000027380-A2 COMBINATION THERAPY OF ANGIOTENSIN CONVERTING ENZYME INHIBITOR AND ALDOSTERONE ANTAGONIST FOR REDUCING MORBIDITY AND MORTALITY FROM CARDIOVASCULAR DISEASE G.D. SEARLE & CO. (US) 2000-05-18 — — WO 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
WO-1996040255-A2 METHOD TO TREAT CARDIOFIBROSIS WITH A COMBINATION THERAPY OF AN ANGIOTENSIN II ANTAGONIST AND AN EPOXY-STEROIDAL ALDOSTERONE ANTAGONIST G.D. SEARLE & CO. (US) 1996-12-19 — — WO claimed
WO-1996040257-A1 EPOXY-STEROIDAL ALDOSTERONE ANTAGONIST AND ANGIOTENSIN II ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF CONGESTIVE HEART FAILURE G.D. SEARLE & CO. (US) 1996-12-19 — — WO claimed

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-20040053903-A1 Method to treat cardiofibrosis with a combination therapy of an angiotensin II antagonist and an epoxy-steroidal aldosterone antagonist NR3C2, AGTR2, AGTR1 PGR 487/4885ALDH1A1 1208/4885CYP3A4 332/4885
US-20040102424-A1 Methods for the treatment or prophylaxis of aldosterone-mediated pathogenic effects in a subject using an epoxy-steroidal aldosterone antagonist NR3C2, CYP21A2, REN PGR 1165/4885ALDH1A1 834/4885CYP3A4 1116/4885
US-20040037806-A1 Aldosterone blocker therapy to prevent or treat inflammation-related disorders NR3C2, IL1RN, SERPINA6 PGR 2786/4885ALDH1A1 2374/4885CYP3A4 2054/4885

“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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