Caloxetic Acid Free Base

Caloxetic Acid Free Base

SCHEMBL19667948

CCOc1ccc(CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1.[NaH].[NaH]

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.42
ALOX5 P09917 1/20 0.41
ACACB O00763 6/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARA Q07869 1/20 0.39

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 SCHEMBL19667947 1.00 MAOB (0.42) MAOBALOX5ACACBALDH1A1POLB
Caloxetic Acid Free Base SCHEMBL8412091 0.99 MAOB (0.43) MAOBALOX5ACACBALDH1A1POLB
Caloxetic Acid Free Base SCHEMBL92689 0.99 MAOB (0.43) MAOBALOX5ACACBALDH1A1POLB
Caloxetic Acid Free Base SCHEMBL29375456 0.98 MAOB (0.42) MAOBALOX5ACACBALDH1A1POLB
SCHEMBL21327620 0.95 MAOB (0.41) MAOBALOX5ACACBALDH1A1POLB
SCHEMBL21327618 0.95 MAOB (0.41) MAOBALOX5ACACBALDH1A1POLB
SCHEMBL21919169 0.94 MAOB (0.42) MAOBALOX5ACACBALDH1A1POLB
SCHEMBL21919234 0.93 MAOB (0.41) MAOBALOX5ACACBALDH1A1POLB
SCHEMBL8672662 0.93 MAOB (0.42) MAOBALOX5ACACBALDH1A1POLB
SCHEMBL8341415 0.93 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 18 patents. 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
US-11149041-B2 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) 2021-10-19 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
EP-3464237-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) 2019-04-10 EP claimed
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 disclosed
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 disclosed
US-11149041-B2 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) 2021-10-19 US disclosed
US-11149041-B2 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) 2021-10-19 US disclosed
US-11149041-B2 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) 2021-10-19 US disclosed
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 disclosed
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 disclosed
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 disclosed
EP-3464237-A4 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) 2020-02-19 EP disclosed
EP-3464237-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) 2019-04-10 EP disclosed
EP-3464237-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) 2019-04-10 EP disclosed
EP-3464237-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) 2019-04-10 EP disclosed
WO-2017208258-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) 2017-12-07 WO disclosed
WO-2017208258-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) 2017-12-07 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 (2 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-11149041-B2 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) CA9, CA4, GLRX3 MAOB 1419/4885ALOX5 3249/4885ACACB 3057/4885
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

“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.