SCHEMBL320905

SCHEMBL320905

O=C([O-])CNCC(CC(=O)O)(CC(=O)O)NCC(=O)[O-].[Na+].[Na+]

nearest known ligand 0.31

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 1)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 1/20 0.31

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
Ethylene Glycol SCHEMBL9640310 0.95
SCHEMBL917184 0.89 CA4 (0.35) CA4
SCHEMBL2319007 0.87 CA4 (0.39) CA4
SCHEMBL15251307 0.87 CA4 (0.34) CA4
SCHEMBL6310261 0.85 CA4 (0.35) CA4
Potassium Ion SCHEMBL18173761 0.85 CA12 (0.32) CA4
SCHEMBL4398018 0.85 CA4 (0.31) CA4
Ammonia Solution, Strong SCHEMBL10493453 0.83 CA4 (0.34) CA4
SCHEMBL3765845 0.83 CA4 (0.30) CA4
SCHEMBL221253 0.82 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3297627-A1 HEALING COMPOSITION BASED ON SEDUM TELEPHIUM AND ALLANTOIN Mag S.r.L. Societa' A Responsabilita' Limitata Semplificata (IT) 2018-03-28 EP claimed
WO-2016188919-A1 HEALING COMPOSITION BASED ON SEDUM TELEPHIUM AND ALLANTOIN MAG S.R.L. SOCIETA' A RESPONSABILITA' LIMITATA SEMPLIFICATA (IT) 2016-12-01 WO claimed
US-5846919-A Rapid ophthalmic disinfection solution using salt and glycol and/or lower alkanol and surfactant CIBA VISION CORPORATION (US) 1998-12-08 US claimed
US-20220125056-A1 TEMPLATED ANTIMICROBIAL MICROGELS AND METHODS OF MAKING AND USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2022-04-28 US disclosed
WO-2020163462-A1 TEMPLATED ANTIMICROBIAL MICROGELS AND METHODS OF MAKING AND USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2020-08-13 WO disclosed
EP-3297627-A1 HEALING COMPOSITION BASED ON SEDUM TELEPHIUM AND ALLANTOIN Mag S.r.L. Societa' A Responsabilita' Limitata Semplificata (IT) 2018-03-28 EP disclosed
WO-2016188919-A1 HEALING COMPOSITION BASED ON SEDUM TELEPHIUM AND ALLANTOIN MAG S.R.L. SOCIETA' A RESPONSABILITA' LIMITATA SEMPLIFICATA (IT) 2016-12-01 WO disclosed
US-20150297738-A1 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2015-10-22 US disclosed
US-20150168618-A1 INFRARED SHIELDING BODY Konica Minolta, Inc. (JP) 2015-06-18 US disclosed
US-20140088298-A9 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2014-03-27 US disclosed
US-20140073778-A9 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2014-03-13 US disclosed
US-5001162-A Use of avarone for the control of adult T-cell leukemia/lymphoma MERZ + CO. GMBH & CO. (DE) 1991-03-19 US disclosed
EP-0416678-A1 Topical compositions containing Defibrotide Crinos Industria Farmacobiologica S.p.A. (IT) 1991-03-13 EP disclosed
US-4939178-A Use of avarol for the control of adult T-cell leukemia/lymphoma MERZ + CO. GMBH & CO. (DE) 1990-07-03 US disclosed
US-4939177-A Use of avarol for the control of AIDS and ARC MERZ + CO. GMBH & CO. (DE) 1990-07-03 US disclosed
WO-1990004650-A1 A PURIFICATION PROCESS FOR COVALENTLY BOUND DNA/PROTEIN COMPLEXES ROYAL FREE HOSPITAL SCHOOL OF MEDICINE (GB) 1990-05-03 WO disclosed
EP-0252305-A2 Use of avarone and avarol and derivatives thereof for the preparation of a pharmaceutical composition for the control of adult T-cell leukemia/lymphoma Merz & Co. GmbH & Co. (DE) 1988-01-13 EP disclosed
EP-0252304-A2 Use of avarone and avarol and derivatives thereof for the preparation of a pharmaceutical composition for the control of AIDS and ARC Merz & Co. GmbH & Co. (DE) 1988-01-13 EP disclosed
US-4266024-A USING ALKYLENEDIAMIDES, DIMETHYL SULFOXIDE OR GLUCOCORTICOIDS AS STIMULATORS FOR LYMPHOID CELLS BOEHRINGER INGELHEIM GMBH (DE) 1981-05-05 US disclosed
US-4108521-A Method of making a display panel and the anodes therefor BURROUGHS CORPORATION (US) 1978-08-22 US 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-20140088298-A9 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION HACL2, HASPIN, LIPA CA4 2235/4885
US-20220125056-A1 TEMPLATED ANTIMICROBIAL MICROGELS AND METHODS OF MAKING AND USING THE SAME MGAM, CD14, CD68 CA4 364/4885
US-20150297738-A1 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION HASPIN, HACL2, PCNA CA4 2426/4885

“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.