SCHEMBL2931883

SCHEMBL2931883

CC(CN[C@@H](CS)C(=O)O)NC(=N)N

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FOLH1 Q04609 3/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
ENPEP Q07075 2/20 0.33
TGFBR1 P36897 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ECE1 P42892 1/20 0.32

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
SCHEMBL19328707 0.85 MAPT (0.50) ACEMAPTKDM4ETHRBALOX15
SCHEMBL19328709 0.85 MAPT (0.50) ACEMAPTKDM4ETHRBALOX15
SCHEMBL19328752 0.85 MAPT (0.50) ACEMAPTKDM4ETHRBALOX15
SCHEMBL19328770 0.85 MAPT (0.50) ACEMAPTKDM4ETHRBALOX15
SCHEMBL19328757 0.85 MAPT (0.50) ACEMAPTKDM4ETHRBALOX15
SCHEMBL19328754 0.85 MAPT (0.50) ACEMAPTKDM4ETHRBALOX15
SCHEMBL9690433 0.79 KDM4E (0.57) ACEMAPTKDM4ETHRBALOX15
SCHEMBL2793250 0.79 KDM4E (0.57) ACEMAPTKDM4ETHRBALOX15
SCHEMBL4866538 0.75 ACE (0.48) ACEMAPTKDM4ETHRBALOX15
SCHEMBL4866546 0.75 ACE (0.48) ACEMAPTKDM4ETHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799845-B1 IN-GEL TAGGING AND IN-GEL DIGESTION FOR PHOSPHOPROTEINS ANALYSIS AND PHOSPHORYLATION SITE IDENTIFICATION KOREA BASIC SCIENCE INST (KR) 2010-09-15 EP disclosed
US-7629744-B2 In-gel tagging and in-gel digestion for phosphoproteins analysis and phosphorylation site identification KOREA BASIC SCIENCE INSTITUTE (KR) 2009-12-08 US disclosed
US-20070287169-A1 In-Gel Tagging And In-Gel Digestion For Phosphoproteins Analysis And Phosphorylation Site Identification KOREA BASIC SCIENCE INSTITUTE (KR) 2007-12-13 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-20070287169-A1 In-Gel Tagging And In-Gel Digestion For Phosphoproteins Analysis And Phosphorylation Site Identification PTMS, CHAMP1, DNPEP ACE 583/4885MAPT 3803/4885KDM4E 3058/4885

“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.