SCHEMBL2331877

SCHEMBL2331877

O=C([O-])CCCCCCCCCNC(=O)c1ccccc1O.O=C([O-])CCCCCCCCCNC(=O)c1ccccc1O.[Na+].[Na+]

nearest known ligand 0.77

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 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 known ✓ P09917 3/20 0.60
▸ NAAA Q02083 2/20 0.67
▸ HTT P42858 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ TSHR P16473 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ NLRP1 Q9C000 1/20 0.58
▸ NAMPT P43490 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ESRRG P62508 1/20 0.46

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
Salcaprozic Acid SCHEMBL29509907 1.00 NAAA (0.67) NAAAALOX5HTTALDH1A1TSHR
Salcaprozic Acid SCHEMBL825599 1.00 NAAA (0.67) NAAAALOX5HTTALDH1A1TSHR
SCHEMBL253212 1.00 NAAA (0.67) NAAAALOX5HTTALDH1A1TSHR
Salcaprozic Acid SCHEMBL20511604 1.00 NAAA (0.67) NAAAALOX5HTTALDH1A1TSHR
Salcaprozic Acid SCHEMBL26908047 0.97 NAAA (0.67) NAAAALOX5HTTALDH1A1TSHR
Alcohol SCHEMBL2331970 0.95 NAAA (0.68) NAAAALOX5HTTALDH1A1TSHR
SCHEMBL4956771 0.94 TSHR (0.61) NAAAALOX5HTTALDH1A1TSHR
Salcaprozic Acid SCHEMBL29036081 0.90 NAAA (0.65) NAAAALOX5HTTALDH1A1TSHR
Salcaprozic Acid SCHEMBL29036010 0.90 NAAA (0.65) NAAAALOX5HTTALDH1A1TSHR
SCHEMBL823552 0.87 NAAA (0.84) NAAAALOX5HTTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658695-B2 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2014-02-25 — — US disclosed
US-20120264834-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS NOVARTIS AG (CH) 2012-10-18 — — US disclosed
US-8207227-B2 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2012-06-26 — — US disclosed
US-20110251125-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS NOVARTIS AG (CH) 2011-10-13 — — US disclosed
US-8003697-B2 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2011-08-23 — — US disclosed
US-20100099621-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-22 — — US disclosed
US-7659311-B2 Disodium salts, monohydrates, and ethanol solvates for delivering active agents NOVARTIS AG (CH) 2010-02-09 — — US disclosed
US-20080269134-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-30 — — US disclosed
US-7384982-B2 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-06-10 — — US disclosed
EP-1535625-A1 Composition containing n-(5-chlorosalicyloyl)-8-aminocaprylic acid and salmon calcitonin Emisphere Technologies, Inc. (US) 2005-06-01 — — EP disclosed
EP-1175390-B1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES EMISPHERE TECH INC (US) 2005-02-02 — — EP disclosed
US-20040106825-A1 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. 2004-06-03 — — US disclosed
EP-1175390-A4 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES EMISPHERE TECH INC (US) 2002-09-04 — — EP disclosed
US-20020065255-A1 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2002-05-30 — — US disclosed
EP-1175390-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES Emisphere Technologies, Inc. (US) 2002-01-30 — — EP disclosed
WO-2000059863-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES EMISPHERE TECHNOLOGIES, INC. (US) 2000-10-12 — — 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 (6 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-20020065255-A1 Disodium salts, monohydrates, and ethanol solvates for delivering active agents ADH1C, CLIC1, SLC9A1 ALOX5 2176/4885NAAA 256/4885HTT 682/4885
US-20110251125-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADH1C, HCAR3 ALOX5 1194/4885NAAA 141/4885HTT 357/4885
US-20080269134-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS HCAR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADH1C ALOX5 1086/4885NAAA 133/4885HTT 403/4885
US-20120264834-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS ACMSD, SLC38A7, SLC10A1 ALOX5 1074/4885NAAA 111/4885HTT 414/4885
US-20100099621-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS HCAR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADH1C ALOX5 1086/4885NAAA 133/4885HTT 403/4885
US-20040106825-A1 Disodium salts, monohydrates, and ethanol solvates for delivering active agents ADH1C, CLIC1, SLC9A1 ALOX5 2176/4885NAAA 256/4885HTT 682/4885

“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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