Sugi Predict

Sugi Predict / Compounds / Malonic Acid

Malonic Acid

Malonic Acid

SCHEMBL1764321

CCC(CC)C(N)=O.O=C(O)CC(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.52
▸ CA1 P00915 4/20 0.52
▸ LDHA P00338 1/20 0.45
▸ SRR Q9GZT4 1/20 0.45
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.38
▸ FFAR3 O14843 2/20 0.36
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GCLC P48506 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ AKR1A1 P14550 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL18737 0.87 — —
SCHEMBL3178200 0.84 — —
Hydrochloric Acid SCHEMBL530588 0.84 — —
Acetone SCHEMBL28248012 0.81 CA2 (0.58) CA2CA1SLC1A3SLC1A2SLC1A1
Malonic Acid SCHEMBL27994611 0.79 CA2 (0.58) CA2CA1LDHASRRSLC1A3
Isobutyramide SCHEMBL8669513 0.79 CA2 (0.56) CA2CA1SLC1A3SLC1A2SLC1A1
Acetic Acid SCHEMBL28540051 0.78 CA2 (0.50) CA2CA1SLC1A3SLC1A2SLC1A1
Phosphoric Acid SCHEMBL11347637 0.77 CA2 (0.54) CA2CA1SLC1A3SLC1A2SLC1A1
Trifluoroacetic Acid SCHEMBL8367842 0.76 CA2 (0.48) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL28946386 0.76 CA1 (0.59) CA2CA1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11343300-A — — None — — JP disclosed
CN-111433577-B Temperature detection label and article management device using same 株式会社日立制作所 2021-09-21 — — CN disclosed
CN-111433577-A Temperature detection label and article management device using same 株式会社日立制作所 2020-07-17 — — CN disclosed
CN-111057001-A Preparation method of quinolone malonate compound 巨化集团公司制药厂 2020-04-24 — — CN disclosed
WO-2019142485-A1 TEMPERATURE DETECTION LABEL AND ARTICLE MANAGEMENT DEVICE USING SAME 株式会社日立製作所 2019-07-25 — — WO disclosed
WO-2019142480-A1 TEMPERATURE DETECTION INK, TEMPERATURE DETECTION INK INITIALIZATION METHOD, TEMPERATURE INDICATOR, AND ARTICLE MANAGEMENT SYSTEM 株式会社日立製作所 2019-07-25 — — WO disclosed
EP-2319850-B1 OPTICALLY ACTIVE alpha-AMINO ACID INTO WHICH BSH IS INTRODUCED AND METHOD FOR SYNTHESIZING THE SAME STELLA PHARMA CORP (JP) 2017-03-29 — — EP disclosed
US-8431738-B2 Optically active α-amino acid into which BSH is introduced and method for synthesizing the same STELLA PHARMA CORPORATION (JP) 2013-04-30 — — US disclosed
US-20110124914-A1 OPTICALLY ACTIVE ALPHA-AMINO ACID INTO WHICH BSH IS INTRODUCED AND METHOD FOR SYNTHESIZING THE SAME STELLA PHARMA CORPORATION (JP) 2011-05-26 — — US disclosed
EP-2319850-A1 OPTICALLY ACTIVE -AMINO ACID INTO WHICH BSH IS INTRODUCED AND METHOD FOR SYNTHESIZING THE SAME Stella Pharma Corporation (JP) 2011-05-11 — — EP disclosed
EP-0989113-B1 A PROCESS FOR PREPARING 2-AMINOMALONIC ACID DERIVATIVES TAITO CO (JP) 2004-11-10 — — EP disclosed
US-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 — — US disclosed
US-6284915-B2 Process for preparing 2-amino malonic acid derivatives and 2-amino-1,3-propanediol derivatives, and intermediates for preparing the same TAITO CO., LTD (JP) 2001-09-04 — — US disclosed
US-20010008945-A1 PROCESS FOR PREPARING 2-AMINO MALONIC ACID DERIVATIVES AND 2-AMINO-1,3 - PROPANEDIOL DERIVATIVES, AND INTERMEDIATES FOR PREPARING THE SAME MITSUBISHI PHARMA CORPORATION (JP) 2001-07-19 — — US disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 — — EP disclosed
EP-0989113-A1 PROCESSES FOR PRODUCING 2-AMINOMALONIC ACID DERIVATIVES AND 2-AMINO-1,3-PROPANEDIOL DERIVATIVES, AND INTERMEDIATES FOR PRODUCING THE DERIVATIVES TAITO CO., LTD. (JP) 2000-03-29 — — EP disclosed
JP-H11343300-A NEW HAPTEN, ANTIBODY RECOGNIZING THE HAPTEN AND IMMUNOLOGICAL DETERMINATION USING THE SAME FUJITA TETSURO 1999-12-14 — — JP disclosed
EP-0721945-B1 BENZOLACTAM DERIVATIVE SHIONOGI & CO (JP) 1999-02-24 — — EP disclosed
US-5652232-A VIRICIDES, TREATMENT OF RETROVIRUS INFECTIOUS DISEASE; AIDS SHIONOGI & CO., LTD. (JP) 1997-07-29 — — US disclosed
EP-0721945-A1 BENZOLACTAM DERIVATIVE SHIONOGI & CO., LTD. (JP) 1996-07-17 — — EP 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-20010008945-A1 PROCESS FOR PREPARING 2-AMINO MALONIC ACID DERIVATIVES AND 2-AMINO-1,3 - PROPANEDIOL DERIVATIVES, AND INTERMEDIATES FOR PREPARING THE SAME BCAT2, BCAT1, BCKDK CA2 2077/4885CA1 2994/4885LDHA 223/4885
US-20110124914-A1 OPTICALLY ACTIVE ALPHA-AMINO ACID INTO WHICH BSH IS INTRODUCED AND METHOD FOR SYNTHESIZING THE SAME BCAT1, BCAT2, CTH CA2 1154/4885CA1 593/4885LDHA 2087/4885

“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.