Carabersat

Carabersat

SCHEMBL5317945

CC(=O)c1ccc2c(c1)C(NC(=O)c1ccc(F)cc1)C(O)C(C)(C)O2.O

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

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

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCC9 known ✓ O60706 5/20 0.64

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
Carabersat SCHEMBL5317948 1.00 ABCC9 (0.64) ABCC9
Carabersat SCHEMBL261192 0.99 ABCC9 (0.62) ABCC9
Carabersat SCHEMBL27394684 0.99 ABCC9 (0.62) ABCC9
Carabersat SCHEMBL27418709 0.99 ABCC9 (0.62) ABCC9
Carabersat SCHEMBL3301553 0.99 ABCC9 (0.62) ABCC9
Carabersat SCHEMBL3300409 0.99 ABCC9 (0.62) ABCC9
Carabersat SCHEMBL9287969 0.99 ABCC9 (0.62) ABCC9
Carabersat SCHEMBL3308650 0.99 ABCC9 (0.62) ABCC9
Carabersat SCHEMBL3301548 0.99 ABCC9 (0.62) ABCC9
Carabersat SCHEMBL29373163 0.99 ABCC9 (0.62) ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534250-A4 ELECTROSPUN AMORPHOUS PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORP (US) 2007-07-04 EP claimed
US-20060013869-A1 Electrospun amorphous pharmaceutical compositions IGNATIOUS FRANCIS 2006-01-19 US claimed
EP-1534250-A2 ELECTROSPUN AMORPHOUS PHARMACEUTICAL COMPOSITIONS SmithKline Beecham Corporation (US) 2005-06-01 EP claimed
WO-2004014304-A2 ELECTROSPUN AMORPHOUS PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-19 WO claimed
EP-1853262-A1 PHARMACEUTICAL COMPOSITION COMPRISING AMORPHOUS ROSIGLITAZONE SMITHKLINE BEECHAM CORPORATION (US) 2007-11-14 EP disclosed
EP-1534250-A4 ELECTROSPUN AMORPHOUS PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORP (US) 2007-07-04 EP disclosed
WO-2006090150-A1 PHARMACEUTICAL COMPOSITION COMPRISING AMORPHOUS ROSIGLITAZONE SMITHKLINE BEECHAM CORPORATION (US) 2006-08-31 WO disclosed
US-20060083784-A1 Amorphous pharmaceutical compositions SMITHKLINE BEECHAM CORPORATION 2006-04-20 US disclosed
US-20060013869-A1 Electrospun amorphous pharmaceutical compositions IGNATIOUS FRANCIS 2006-01-19 US disclosed
EP-1534250-A2 ELECTROSPUN AMORPHOUS PHARMACEUTICAL COMPOSITIONS SmithKline Beecham Corporation (US) 2005-06-01 EP disclosed
WO-2004014304-A2 ELECTROSPUN AMORPHOUS PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-19 WO disclosed