SCHEMBL5053530

SCHEMBL5053530

CC(=O)NC([C]=O)C[C]=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL4599093 1.00 NFKB1 (0.34) NFKB1KDM4EMAPTTHRBALOX15
SCHEMBL4599052 1.00 NFKB1 (0.34) NFKB1KDM4EMAPTTHRBALOX15
SCHEMBL9700814 0.82 KDM4E (0.34) NFKB1KDM4EMAPTTHRBALOX15
SCHEMBL3990273 0.79
SCHEMBL4039881 0.79
SCHEMBL3990272 0.79
SCHEMBL514472 0.77
SCHEMBL514471 0.77
SCHEMBL1006670 0.76 ALDH1A1 (0.50) NFKB1KDM4EMAPTTHRBALOX15
SCHEMBL1006669 0.76 ALDH1A1 (0.50) NFKB1KDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116926141-A Method for synthesizing acetylated amino acid and oligopeptide by catalyzing food-grade enzyme preparation 华南理工大学 2023-10-24 CN disclosed
EP-3034512-B1 A process for producing iron (III) casein N-acetyl-aspartylated complexes and use thereof in pharmaceutical compositions TSETI IOULIA (GR) 2017-12-06 EP disclosed
EP-3034512-A1 A process for producing iron (III) casein N-acetyl-aspartylated complexes and use thereof in pharmaceutical compositions Tseti, Ioulia (GR) 2016-06-22 EP disclosed
US-20080051327-A1 Crystals of an Aurora-A Tpx2 Complex, Tpx2 Binding Site of Aurora-A, Aurora-A Ligands and Their Use EMBL (DE) 2008-02-28 US disclosed
EP-1670909-A2 CRYSTALS OF AN AURORA-A TPX2 COMPLEX, TPX2 BINDING SITE OF AURORA-A, AURORA-A LIGANDS AND THEIR USE EMBL (DE) 2006-06-21 EP disclosed
WO-2005040368-A2 CRYSTALS OF AN AURORA-A TPX2 COMPLEX, TPX2 BINDING SITE OF AURORA-A, AURORA-A LIGANDS AND THEIR USE EMBL (DE) 2005-05-06 WO disclosed
WO-2003057670-A2 INDOLES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-07-17 WO disclosed
EP-1066297-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2001-01-10 EP disclosed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP disclosed
EP-0973731-A1 HYDROXAMIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2000-01-26 EP disclosed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP disclosed
WO-1999050272-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1999-10-07 WO disclosed
WO-1998045256-A1 HYDROXAMIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1998-10-15 WO disclosed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed
US-4175084-A AND AN N-ACYL ASPARTIC ACID CARRIER, FOR PSYCHOLOGICAL DISORDERS, LEARNING ENHANCEMENT AND SLEEP INDUCTION SENTRALINSTITUTT FOR INDUSTRIELL FORSKNING (NO) 1979-11-20 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-20080051327-A1 Crystals of an Aurora-A Tpx2 Complex, Tpx2 Binding Site of Aurora-A, Aurora-A Ligands and Their Use AURKA, AURKC, AURKB NFKB1 3772/4885KDM4E 2207/4885MAPT 1174/4885

“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.