Ciprostene

Ciprostene

SCHEMBL4428358

CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@]2(C)C/C(=C\CCCC(=O)[O-])C[C@@H]12.CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@]2(C)C/C(=C\CCCC(=O)[O-])C[C@@H]12.[Ca+2]

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Ciprostene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LTB4R Q15722 5/20 0.44
PTGER4 P35408 7/20 0.42
PTGER2 P43116 5/20 0.42
PTGER3 P43115 5/20 0.42
PTGER1 P34995 4/20 0.42
PTGIR P43119 3/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 2/20 0.42
TBXA2R P21731 2/20 0.42
MAPK1 P28482 2/20 0.42
PTGFR P43088 2/20 0.42
NR1I2 O75469 1/20 0.42
ESR1 P03372 1/20 0.42
PGR P06401 1/20 0.42

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
Ciprostene SCHEMBL667640 1.00 MEN1 (0.50) MEN1KMT2APPARGPPARDPPARA
Ciprostene SCHEMBL34269 0.91 MEN1 (0.61) MEN1KMT2APPARGPPARDPPARA
Ciprostene SCHEMBL361116 0.90 MEN1 (0.60) MEN1KMT2APPARGPPARDPPARA
SCHEMBL11891875 0.89 MEN1 (0.47) MEN1KMT2APPARGPPARDPPARA
Epoprostenol SCHEMBL128619 0.74 ALDH1A1 (0.82) MEN1KMT2APPARGPPARDPPARA
Epoprostenol SCHEMBL29121502 0.74 ALDH1A1 (0.82) MEN1KMT2APPARGPPARDPPARA
Epoprostenol SCHEMBL4299219 0.74 ALDH1A1 (0.82) MEN1KMT2APPARGPPARDPPARA
Epoprostenol SCHEMBL41344 0.74 ALDH1A1 (0.82) MEN1KMT2APPARGPPARDPPARA
SCHEMBL29897015 0.72 ALDH1A1 (0.53) MEN1KMT2APPARGPPARDPPARA
SCHEMBL7030341 0.72 ALDH1A1 (0.53) MEN1KMT2APPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
US-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia MICROBIA, INC. (US) 2008-08-14 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
EP-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 EP disclosed
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 EP disclosed
US-20070015214-A1 Methods for identifying compounds for regulating muscle mass or function using prostanoid IP receptors THE PROCTER & GAMBLE COMPANY (US) 2007-01-18 US disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed
WO-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 WO disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 WO disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 WO disclosed
WO-2006086562-A2 PHENYLAZETIDINONE DERIVATIVES MICROBIA, INC. (US) 2006-08-17 WO disclosed
CN-1658903-A Combinations of peroxisome proliferator-activated receptor (ppar) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications SCHERING CORP (US) 2005-08-24 CN disclosed
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions SCHERING CORPORATION 2002-10-10 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 (4 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-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia CYP46A1, CYP7A1, UGT1A1 MEN1 3433/4885KMT2A 967/4885PPARG 286/4885
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions APOB, FABP2, CYP46A1 MEN1 635/4885KMT2A 3795/4885PPARG 769/4885
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 MEN1 2936/4885KMT2A 3103/4885PPARG 481/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 MEN1 1686/4885KMT2A 1290/4885PPARG 54/4885

“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.