SCHEMBL5656638

SCHEMBL5656638

O=C([O-])CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NCc1ccc(-c2ccccc2)cc1.[Na+]

nearest known ligand 0.56

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 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.56
MMP9 P14780 3/20 0.56
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP13 P45452 1/20 0.52
PTGER4 P35408 3/20 0.52
FOLH1 Q04609 2/20 0.52
TLR2 O60603 1/20 0.50
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
HTT P42858 1/20 0.47
SIRT2 Q8IXJ6 5/20 0.47
SIRT1 Q96EB6 3/20 0.47
SIRT3 Q9NTG7 2/20 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
SCHEMBL5654708 0.90 MMP2 (0.53) MMP2MMP9MMP1MMP3MMP7
SCHEMBL5653464 0.82 PTGER4 (0.56) PTGER4FOLH1CPB1CPB2SIRT2
SCHEMBL5655138 0.80 PTGER4 (0.55) PTGER4FOLH1CPB1CPB2SIRT2
SCHEMBL5651775 0.80 PTGER4 (0.53) PTGER4FOLH1CPB1CPB2SIRT2
SCHEMBL5651771 0.80 PTGER4 (0.53) PTGER4FOLH1CPB1CPB2SIRT2
SCHEMBL5653906 0.79 PTGER4 (0.57) PTGER4FOLH1CPB1CPB2SIRT2
SCHEMBL5655225 0.79 PTGER4 (0.62) PTGER4FOLH1CPB1CPB2SIRT2
SCHEMBL5653495 0.79 MMP9 (0.74) MMP2MMP9MMP1MMP3MMP7
SCHEMBL5655056 0.78 FOLH1 (0.51) MMP2MMP9MMP1MMP3MMP7
SCHEMBL5653366 0.78 PTGER4 (0.69) MMP2MMP9PTGER4FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 US disclosed
EP-1697337-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN-E2-AGONISTS OR ANTAGONISTS Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061475-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-07-07 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 MMP2 3589/4885MMP9 4006/4885MMP1 4205/4885

“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.