SCHEMBL3655477

SCHEMBL3655477

O=S(=O)([O-])CCN1CCNCC1CCO.[Na+]

nearest known ligand 0.45

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
CA1 known ✓ P00915 8/20 0.45
CA2 known ✓ P00918 8/20 0.45
CA4 known ✓ P22748 8/20 0.45
CA9 Q16790 8/20 0.45
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL83681 0.85 CA1 (0.44) CA1CA2CA4CA9TAAR1
SCHEMBL28531207 0.84 CA1 (0.43) CA1CA2CA4CA9TAAR1
Sulfuric Acid SCHEMBL28700686 0.82 CA1 (0.46) CA1CA2CA4CA9TAAR1
SCHEMBL2587081 0.80 CA1 (0.43) CA1CA2CA4CA9TAAR1
SCHEMBL366506 0.80 CA1 (0.42) CA1CA2CA4CA9TAAR1
Acetonitrile SCHEMBL28171050 0.79 CA1 (0.40) CA1CA2CA4CA9TAAR1
SCHEMBL657861 0.79 CA1 (0.40) CA1CA2CA4CA9TAAR1
SCHEMBL6019646 0.79 CA1 (0.42) CA1CA2CA4CA9TAAR1
SCHEMBL31397702 0.77 TAAR1 (0.45) CA1CA2CA4CA9TAAR1
SCHEMBL651045 0.77 CA1 (0.39) CA1CA2CA4CA9TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260000695-A1 SOLID AND ORAL ETOPOSIDE TONIRIBATE COMPOSITIONS CELLACT PHARMA GMBH (DE) 2026-01-01 US disclosed
EP-2190411-A2 LIPOSOME COMPOSITIONS FOR IN VIVO ADMINISTRATION OF BORONIC ACID COMPOUNDS Alza Corporation (US) 2010-06-02 EP disclosed
EP-2190412-A2 LIPOSOME FORMULATIONS OF BORONIC ACID COMPOUNDS Alza Corporation (US) 2010-06-02 EP disclosed
US-20090092661-A1 LIPOSOME COMPOSITIONS FOR IN VIVO ADMINISTRATION OF BORONIC ACID COMPOUNDS ALZA CORPORATION 2009-04-09 US disclosed
US-20090092662-A1 LIPOSOME FORMULATIONS OF BORONIC ACID COMPOUNDS ALZA CORPORATION 2009-04-09 US disclosed
WO-2009026427-A2 LIPOSOME COMPOSITIONS FOR IN VIVO ADMINISTRATION OF BORONIC ACID COMPOUNDS ALZA CORPORATION (US) 2009-02-26 WO disclosed
WO-2009026430-A2 LIPOSOME FORMULATIONS OF BORONIC ACID COMPOUNDS ALZA CORPORATION (US) 2009-02-26 WO disclosed
EP-1807053-A1 LIPOSOMAL FORMULATION OF BORTEZOMIB (PS-341) ALZA CORPORATION (US) 2007-07-18 EP disclosed
EP-1807052-A1 LIPOSOME FORMULATION OF PEPTIDE BORONIC ACIDS COMPOUNDS ALZA CORPORATION (US) 2007-07-18 EP disclosed
US-20060159736-A1 Liposome formulations of boronic acid compounds ALZA CORPORATION 2006-07-20 US disclosed
US-20060153907-A1 Liposome formulations of boronic acid compounds ALZA CORPORATION 2006-07-13 US disclosed
WO-2006052733-A1 LIPOSOMAL FORMULATION OF BORTEZOMIB (PS-341) ALZA CORPORATION (US) 2006-05-18 WO disclosed
WO-2006052734-A1 LIPOSOME FORMULATION OF PEPTIDE BORONIC ACIDS COMPOUNDS ALZA CORPORATION (US) 2006-05-18 WO disclosed
EP-0949906-A4 COMPOUND-LOADED LIPOSOMES AND METHODS FOR THEIR PREPARATION HERMES BIOSCIENCES INC (US) 2004-11-24 EP disclosed
US-6110491-A THE CONCENTRATIONS OF BOTH THE COMPOUND AND THE POLYMER WITHIN THE LIPOSOMES ARE SEVERALFOLD HIGHER THAN THE COMPOUND AND POLYMER CONCENTRATION IN BULK-PHASE MEDIUM HERMES BIOSCIENCES, INC. (US) 2000-08-29 US disclosed
EP-0949906-A1 COMPOUND-LOADED LIPOSOMES AND METHODS FOR THEIR PREPARATION Hermes Biosciences Inc. (US) 1999-10-20 EP disclosed
WO-1998017256-A1 COMPOUND-LOADED LIPOSOMES AND METHODS FOR THEIR PREPARATION KIRPOTIN DMITRI (US) 1998-04-30 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 (5 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-20060153907-A1 Liposome formulations of boronic acid compounds XIAP, PSMB11, PSMB1 CA1 804/4885CA2 2410/4885CA4 2335/4885
US-20260000695-A1 SOLID AND ORAL ETOPOSIDE TONIRIBATE COMPOSITIONS TOP2B, TOP1, TOP2A CA1 1335/4885CA2 1931/4885CA4 1481/4885
US-20090092661-A1 LIPOSOME COMPOSITIONS FOR IN VIVO ADMINISTRATION OF BORONIC ACID COMPOUNDS LIPA, LPAR6, ABHD6 CA1 502/4885CA2 874/4885CA4 1059/4885
US-20090092662-A1 LIPOSOME FORMULATIONS OF BORONIC ACID COMPOUNDS PSMB1, PSMB11, PSMA6 CA1 623/4885CA2 1694/4885CA4 1886/4885
US-20060159736-A1 Liposome formulations of boronic acid compounds XIAP, BOLA2; BOLA2B, BCL6 CA1 872/4885CA2 1973/4885CA4 1705/4885

“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.