Caloxetic Acid Free Base

Caloxetic Acid Free Base

SCHEMBL92689

CCOc1ccc(CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.43
ALOX5 P09917 1/20 0.41
ACACB O00763 6/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARA Q07869 1/20 0.40

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
Caloxetic Acid Free Base SCHEMBL8412091 1.00 MAOB (0.43) MAOBALOX5ACACBALDH1A1POLB
Caloxetic Acid Free Base SCHEMBL19667948 0.99 MAOB (0.42) MAOBALOX5ACACBALDH1A1POLB
Caloxetic Acid Free Base SCHEMBL29375456 0.99 MAOB (0.42) MAOBALOX5ACACBALDH1A1POLB
Caloxetic Acid Free Base SCHEMBL19667947 0.99 MAOB (0.42) MAOBALOX5ACACBALDH1A1POLB
SCHEMBL21919169 0.95 MAOB (0.42) MAOBALOX5ACACBALDH1A1POLB
SCHEMBL21327618 0.94 MAOB (0.41) MAOBALOX5ACACBALDH1A1POLB
SCHEMBL21919234 0.94 MAOB (0.41) MAOBALOX5ACACBALDH1A1POLB
SCHEMBL21327620 0.94 MAOB (0.41) MAOBALOX5ACACBALDH1A1POLB
SCHEMBL8672662 0.94 MAOB (0.42) MAOBALOX5ACACBALDH1A1POLB
SCHEMBL8341415 0.94 MAOB (0.46) MAOBALOX5ACACBALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464237-B1 NOVEL PROCESS FOR THE PREPARATION OF GADOLINIUM COMPLEX OF (4S)-4-(4-ETHOXYBENZYL)-3,6,9-TRIS(CARBOXYLATOMETHYL)-3,6,9- TRIAZAUNDECANEDIOIC ACID DISODIUM (GADOXETATE DISODIUM) BIOPHORE INDIA PHARMACEUTICALS PVT LTD (IN) 2023-12-20 EP claimed
WO-2023076220-A1 CONJUGATES HAVING ANTIFOULING NANOPARTICLES AND METHODS OF USE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-05-04 WO claimed
US-11110185-B2 Combination formulation GE HEALTHCARE AS (NO) 2021-09-07 US claimed
US-20200123178-A1 Novel Process for the Preparation of Gadolinium Complex of (4S)-4-(4-Ethoxybenzyl)-3,6,9-Tris(Carboxylatomethyl)-3,6,9-Triazaundecanedioic Acid Disodium (Gadoxetate Disodium) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2020-04-23 US claimed
US-20180303960-A1 Combination Formulation GE HEALTHCARE AS (NO) 2018-10-25 US claimed
EP-3383441-A1 FORMULATIONS COMPRISING A COMBINATION OF MRI CONTRAST AGENTS GE Healthcare AS (NO) 2018-10-10 EP claimed
WO-2017093336-A1 FORMULATIONS COMPRISING A COMBINATION OF MRI CONTRAST AGENTS GE HEALTHCARE AS (NO) 2017-06-08 WO claimed
EP-2547369-B1 A NANOPARTICLE COMPRISING A MICELLE FORMED BY AN AMPHIPHILIC BLOCK-COPOLYMER AND ENCAPSULATING A GADOLINIUM COMPLEX UNIV KING SAUD (SA) 2017-04-19 EP claimed
US-20140234211-A1 SUPRAMOLECULAR AGGREGATES CONTAINING AMPHIPHILIC MONOMERS, CHELATING AGENTS AND PEPTIDES FOR USE FOR DRUG DELIVERY AND AS CONTRAST AGENTS INVECTORS S.R.L. (IT) 2014-08-21 US claimed
EP-2750714-A1 SUPRAMOLECULAR AGGREGATES CONTAINING AMPHIPHILIC MONOMERS, CHELATING AGENTS AND PEPTIDES FOR USE FOR DRUG DELIVERY AND AS CONTRAST AGENTS INVECTORS s.r.l. (IT) 2014-07-09 EP claimed
EP-1412383-A2 PEPTIDES CONJUGATES, THEIR DERIVATIVES WITH METAL COMPLEXES AND USE THEREOF FOR MAGNETIC RESONANCE IMAGING (MRI) Bracco Imaging S.p.A. (IT) 2004-04-28 EP claimed
WO-2003103722-A1 NEW AGENTS FOR MAGNETIC IMAGING METHOD BRACCO IMAGING S.P.A. (IT) 2003-12-18 WO claimed
EP-1369134-A1 New agents for magnetic imaging method Bracco Imaging S.p.A. (IT) 2003-12-10 EP claimed
WO-2003014157-A2 PEPTIDES CONJUGATES, THEIR DERIVATIVES WITH METAL COMPLEXES AND USE THEREOF FOR MAGNETIC RESONANCE IMAGING (MRI) BRACCO IMAGING S.P.A. (IT) 2003-02-20 WO claimed
EP-0743283-B1 Recovery of gadolinium and its complexing agents from aqueous solutions containing their complexes BRACCO IMAGING SPA (IT) 2001-06-27 EP claimed
US-6039931-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-21 US claimed
US-5695739-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-09 US claimed
US-5595714-A Recovery of gadolinium and its complexing agents from aqueous solutions containing their complexes DIBRA S.P.A. (IT) 1997-01-21 US claimed
EP-0743283-A2 Recovery of gadolinium and its complexing agents from aqueous solutions containing their complexes BRACCO S.p.A. (IT) 1996-11-20 EP claimed
EP-0405704-B1 DTPA-complexes derivatives, pharmaceutical compositions containing them, their use and process for their preparation SCHERING AG (DE) 1994-12-14 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-11110185-B2 Combination formulation SLC10A1, SLC10A2, RXFP2 MAOB 590/4885ALOX5 2056/4885ACACB 2732/4885
US-20140234211-A1 SUPRAMOLECULAR AGGREGATES CONTAINING AMPHIPHILIC MONOMERS, CHELATING AGENTS AND PEPTIDES FOR USE FOR DRUG DELIVERY AND AS CONTRAST AGENTS GRPR, BRS3, BID MAOB 4319/4885ALOX5 3753/4885ACACB 4701/4885
US-20200123178-A1 Novel Process for the Preparation of Gadolinium Complex of (4S)-4-(4-Ethoxybenzyl)-3,6,9-Tris(Carboxylatomethyl)-3,6,9-Triazaundecanedioic Acid Disodium (Gadoxetate Disodium) GLRX3, CA9, CA4 MAOB 1325/4885ALOX5 2520/4885ACACB 3088/4885
US-20180303960-A1 Combination Formulation SLC10A1, SLC10A2, RXFP2 MAOB 590/4885ALOX5 2056/4885ACACB 2732/4885

“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.