SCHEMBL2330850

SCHEMBL2330850

O=C([O-])CCCCCCCNC(=O)c1cc(Cl)ccc1O.O=C([O-])CCCCCCCNC(=O)c1cc(Cl)ccc1O.[Na+].[Na+]

nearest known ligand 0.67

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 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 known ✓ P23219 1/20 0.47
▸ TUBB known ✓ P07437 2/20 0.45
▸ ALOX5 known ✓ P09917 1/20 0.44
▸ GABRP known ✓ O00591 1/20 0.44
▸ GABRD known ✓ O14764 1/20 0.44
▸ GABRA1 known ✓ P14867 1/20 0.44
▸ GABRB1 known ✓ P18505 1/20 0.44
▸ GABRG2 known ✓ P18507 1/20 0.44
▸ GABRB3 known ✓ P28472 1/20 0.44
▸ GABRA5 known ✓ P31644 1/20 0.44
▸ GABRA3 known ✓ P34903 1/20 0.44
▸ GABRA2 known ✓ P47869 1/20 0.44
▸ GABRB2 known ✓ P47870 1/20 0.44
▸ GABRA4 known ✓ P48169 1/20 0.44
▸ GABRE known ✓ P78334 1/20 0.44
▸ GABRA6 known ✓ Q16445 1/20 0.44
▸ GABRG1 known ✓ Q8N1C3 1/20 0.44
▸ GABRG3 known ✓ Q99928 1/20 0.44
▸ GABRQ known ✓ Q9UN88 1/20 0.44
▸ PDK1 known ✓ Q15118 1/20 0.43

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
SCHEMBL2335483 1.00 CDK1 (0.67) CDK1TDP1NAAAPTGS1P2RX1
Alcohol SCHEMBL2337112 0.95 CDK1 (0.64) CDK1TDP1NAAAPTGS1P2RX1
SCHEMBL29036020 0.91 CDK1 (0.58) CDK1TDP1NAAAPTGS1P2RX1
Choline SCHEMBL30481048 0.88 CDK1 (0.61) CDK1TDP1NAAAPTGS1P2RX1
SCHEMBL29036057 0.88 CDK1 (0.55) CDK1TDP1NAAAPTGS1TUBB
Tetrabuthylammonium SCHEMBL30481059 0.88 NAAA (0.57) CDK1TDP1NAAAALOX5
Tetrabuthylammonium SCHEMBL29036069 0.88 NAAA (0.57) CDK1TDP1NAAAALOX5
SCHEMBL29847332 0.87 CDK1 (0.49) CDK1TDP1HDAC3HDAC1HDAC4
SCHEMBL446310 0.86 CDK1 (0.70) CDK1TDP1NAAAPTGS1P2RX1
SCHEMBL29383677 0.86 CDK1 (0.70) CDK1TDP1NAAAPTGS1P2RX1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232524-A1 Oral administration of calcitonin NOVARTIS AG (CH) 2007-10-04 — — US claimed
US-20060135402-A1 Oral administration of calcitonin AZRIA MOISE 2006-06-22 — — US claimed
EP-1526871-A1 ORAL ADMINISTRATION OF CALCITONIN Novartis AG (CH) 2005-05-04 — — EP claimed
WO-2004012772-A1 ORAL ADMINISTRATION OF CALCITONIN NOVARTIS AG (CH) 2004-02-12 — — WO claimed
EP-4326329-A1 ORAL DELIVERY OF OLIGONUCLEOTIDES Civi Biopharma, Inc. (US) 2024-02-28 — — EP disclosed
CN-117545509-A Oral delivery of oligonucleotides 四纬生物制药股份有限公司 2024-02-09 — — CN disclosed
EP-4259799-A1 ORAL DELIVERY OF ANTISENSE CONJUGATES TARGETING PCSK9 Civi Biopharma, Inc. (US) 2023-10-18 — — EP disclosed
CN-116897206-A Oral delivery of PCSK 9-targeting antisense conjugates 四纬生物制药股份有限公司 2023-10-17 — — CN disclosed
WO-2022125913-A9 ORAL DELIVERY OF ANTISENSE CONJUGATES TARGETING PCSK9 CIVI BIOPHARMA, INC. (US) 2023-06-08 — — WO disclosed
WO-2022226217-A1 ORAL DELIVERY OF OLIGONUCLEOTIDES CIVI BIOPHARMA, INC. (US) 2022-10-27 — — WO disclosed
WO-2022125913-A1 ORAL DELIVERY OF ANTISENSE CONJUGATES TARGETING PCSK9 CIVI BIOPHARMA, INC. (US) 2022-06-16 — — WO disclosed
US-8658695-B2 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2014-02-25 — — US disclosed
JP-2005068161-A DISODIUM SALT, MONOHYDRATE, AND ETHANOL SOLVATE FOR DELIVERING ACTIVE AGENT EMISPHERE TECHNOLGIES INC 2005-03-17 — — JP disclosed
US-20050054557-A1 Compositions for delivering parathyroid hormone and calcitonin MHR INSTITUTIONAL PARTNERS IIA LP 2005-03-10 — — US 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 (3 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 PTGS1 3537/4885TUBB 3909/4885ALOX5 2176/4885
US-20050054557-A1 Compositions for delivering parathyroid hormone and calcitonin PTH1R, CALCA, CALCB PTGS1 993/4885TUBB 3183/4885ALOX5 1251/4885
US-20040106825-A1 Disodium salts, monohydrates, and ethanol solvates for delivering active agents ADH1C, CLIC1, SLC9A1 PTGS1 3537/4885TUBB 3909/4885ALOX5 2176/4885

“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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