SCHEMBL5078448

SCHEMBL5078448

Nc1ccc(C(=O)OC(=O)[C@@H](N)CCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 3/20 0.46
MAOA P21397 2/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4D Q08499 1/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GSR P00390 1/20 0.42
GRIK1 P39086 1/20 0.42
GRM5 P41594 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42

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
SCHEMBL21291549 1.00 CYP1A2 (0.46) CYP1A2LMNACYP3A4MAOANPC1
Glutamic Acid SCHEMBL26114058 0.88 CYP1A2 (0.55) CYP1A2LMNACYP3A4MAOANPC1
SCHEMBL1232253 0.88 LMNA (0.46) CYP1A2LMNACYP3A4MAOANPC1
SCHEMBL5078447 0.88 LMNA (0.46) CYP1A2LMNACYP3A4MAOANPC1
SCHEMBL28889391 0.88 LMNA (0.46) CYP1A2LMNACYP3A4MAOANPC1
SCHEMBL1997086 0.88 ALDH1A1 (0.45) CYP1A2LMNATSHRCYP2C19GRM8
SCHEMBL28889389 0.85 LMNA (0.44) CYP1A2LMNACYP3A4MAOANPC1
SCHEMBL28709735 0.83 POLB (0.43) CYP1A2RAB9AGRM8GRM6GRIN2D
SCHEMBL28881893 0.82 KMT2A (0.48) TSHRMAPTALDH1A1ADRB2ADRB1
Butane SCHEMBL9141860 0.80 S1PR1 (0.44) NPC1RAB9AMAPTALDH1A1GAA

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
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
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 CYP1A2 1000/4885LMNA 3735/4885CYP3A4 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.