SCHEMBL4607574

SCHEMBL4607574

O=C([O-])CCc1ccc(Cl)cc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1.[Na+]

nearest known ligand 0.62

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.62
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL14026612 0.91 PTGDR2 (0.68) PTGDR2KDM4EALDH1A1NPC1LMNA
SCHEMBL4609205 0.86 PTGDR2 (0.63) PTGDR2KDM4EALDH1A1NPC1
SCHEMBL1713829 0.77 PTGDR2 (1.00) PTGDR2
SCHEMBL1714929 0.76 PTGDR2 (0.69) PTGDR2KDM4EALDH1A1NPC1LMNA
SCHEMBL4622645 0.75 PTGDR2 (0.83) PTGDR2
SCHEMBL4942895 0.74 PTGDR2 (0.65) PTGDR2
SCHEMBL1714137 0.74 PTGDR2 (1.00) PTGDR2
SCHEMBL4608527 0.72 PTGDR2 (0.75) PTGDR2
SCHEMBL1714586 0.71 PTGDR2 (0.90) PTGDR2
SCHEMBL1715064 0.71 PTGDR2 (0.89) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255150-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-10-16 US claimed
EP-1948630-A2 NOVEL COMPOUNDS AstraZeneca AB (SE) 2008-07-30 EP claimed
WO-2007052023-A2 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-05-10 WO claimed
US-20080255150-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1948630-A2 NOVEL COMPOUNDS AstraZeneca AB (SE) 2008-07-30 EP disclosed
WO-2007052023-A2 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-05-10 WO 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 (1 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-20080255150-A1 Novel Compounds CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B2 PTGDR2 620/4885KDM4E 3205/4885ALDH1A1 239/4885

“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.