SCHEMBL5078447

SCHEMBL5078447

Nc1ccc(C(=O)OC(=O)CCC(N)C(=O)OC(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
MAOA P21397 2/20 0.46
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4D Q08499 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.41
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
CYP2D6 P10635 2/20 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
SCHEMBL1232253 1.00 LMNA (0.46) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL28889391 1.00 LMNA (0.46) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL5078448 0.88 CYP1A2 (0.46) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL21291549 0.88 CYP1A2 (0.46) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL5084405 0.86 ALDH1A1 (0.44) LMNATSHRMAPTALDH1A1GAA
SCHEMBL5084403 0.86 ALDH1A1 (0.44) LMNATSHRMAPTALDH1A1GAA
SCHEMBL28889387 0.85 LMNA (0.41) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL28889389 0.85 LMNA (0.44) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL28889419 0.85 LMNA (0.41) LMNACYP1A2CYP3A4MAOATSHR
Hydrochloric Acid SCHEMBL31375791 0.85 ALDH1A1 (0.42) LMNATSHRMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115138353-A Carbon source coated monolithic catalyst and preparation method and application thereof 横店集团东磁股份有限公司 2022-10-04 CN claimed
WO-2019161963-A1 METHOD AND KIT FOR ISOTOPE-LABELLING OF A FOLATE-CONTAINING BIOLOGICAL SAMPLE FOR MASS SPECTROMETRY MEDIZINISCHE UNIVERSITÄT GRAZ (AT) 2019-08-29 WO disclosed
EP-3530661-A1 METHOD AND KIT FOR ISOTOPE-LABELLING OF A FOLATE-CONTAINING BIOLOGICAL SAMPLE FOR MASS SPECTROMETRY Medizinische Universität Graz (AT) 2019-08-28 EP disclosed
EP-1917027-A2 CLEAVAGE OF ANTIFOLATE COMPOUNDS Protherics Medicines Development Limited (GB) 2008-05-07 EP disclosed
US-20070243182-A1 Use of Carboxypeptidease G for Combating Antifolate Toxicity PROTHERICS MEDICINES DEVELOPMENT LIMITED (GB) 2007-10-18 US disclosed
WO-2007023243-A2 CLEAVAGE OF ANTIFOLATE COMPOUNDS PROTHERICS MEDICINES DEVELOPMENT LIMITED (GB) 2007-03-01 WO disclosed
EP-1727548-A2 USE OF CARBOXYPEPTIDASE G FOR COMBATING ANTIFOLATE TOXICITY Protherics Medicines Development Limited (GB) 2006-12-06 EP disclosed
WO-2005084695-A2 USE OF CARBOXYPEPTIDASE G FOR COMBATING ANTIFOLATE TOXICITY PROTHERICS MEDICINES DEVELOPMENT LIMITED (GB) 2005-09-15 WO disclosed
US-6887467-B1 Double mutants of dihydrofolate reductase and methods of using same SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2005-05-03 US disclosed
US-6642043-B1 Substituting amino acid side chains where on has larger volume and the other is hydrophilic; use in producing drug resistant bone marrow or peripheral stem cells SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-11-04 US disclosed
US-6127150-A VECTOR FOR THE EFFICIENT EXPRESSION AND ISOLATION OF HETEROLOGOUS PROTEINS BIONEBRASKA, INC. (US) 2000-10-03 US disclosed
WO-1997033988-A1 DOUBLE MUTANTS OF DIHYDROFOLATE REDUCTASE AND METHODS OF USING SAME SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-09-18 WO disclosed
US-5595887-A GENE EXPRESSION, FORMING POLYPEPTIDES FOR PROTEIN PURIFICATION BIONEBRASKA, INC. (US) 1997-01-21 US disclosed
EP-0539530-A4 PURIFICATION DIRECTED CLONING OF PEPTIDES. 1993-09-15 EP disclosed
EP-0539530-A1 PURIFICATION DIRECTED CLONING OF PEPTIDES BIONEBRASKA, INC. (US) 1993-05-05 EP disclosed
WO-1992001707-A1 PURIFICATION DIRECTED CLONING OF PEPTIDES BIONEBRASKA, INC. (US) 1992-02-06 WO disclosed
EP-0007917-B1 IMPROVEMENTS IN OR RELATING TO MEDIA FOR AFFINITY CHROMATOGRAPHY THE SECRETARY OF STATE FOR DEFENCE (GB) 1984-02-01 EP disclosed
US-4136101-A PROCESS FOR PREPARING DIALKYL (P-AMINOBENZOYL) GLUTAMATES AMERICAN CYANAMID COMPANY (US) 1979-01-23 US disclosed
US-4080325-A REACTING TETRAAMINOPYRIMIDINE HYDROCHLORIDE WITH DIHYDROXYACETONE, MULTISTAGE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE 1978-03-21 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 (1 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-20070243182-A1 Use of Carboxypeptidease G for Combating Antifolate Toxicity CPB1, FOLH1, CPA1 LMNA 3735/4885CYP1A2 1000/4885CYP3A4 1647/4885

“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.