SCHEMBL992923

SCHEMBL992923

CCCN(CCOc1ccc(N=C=O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PDK2 Q15119 1/20 0.35
CYP2D6 P10635 2/20 0.35
PPARA Q07869 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
SSTR4 P31391 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
SRD5A1 P18405 1/20 0.33
ACACB O00763 1/20 0.33
PPARG P37231 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
SCHEMBL991641 0.92 MEN1 (0.36) PDK2PPARAKDM4EPOLBSSTR4
SCHEMBL12925102 0.91 TRPM8 (0.36) PDK2PPARAKDM4EPOLBSSTR4
SCHEMBL12925100 0.87 PDK2 (0.35) PDK2PPARAKDM4EPOLBSSTR4
SCHEMBL991770 0.84 PDK2 (0.48) PDK2PPARAKDM4EPOLBPPARG
SCHEMBL2480421 0.84 BCHE (0.41) BCHEACHE
SCHEMBL6181833 0.82 MEN1 (0.36) PDK2PPARAKDM4EPOLBSSTR4
SCHEMBL4890440 0.82 ADRB3 (0.40) PDK2KDM4EPOLB
SCHEMBL12177889 0.81 PDK2 (0.43) BCHEACHEPDK2PPARAKDM4E
SCHEMBL991360 0.78 PDK2 (0.43) PDK2PPARAKDM4EPOLB
SCHEMBL2481800 0.78 NPC1 (0.44) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129763-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-05-24 US disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 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 (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-20120129763-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, SI, DNPEP BCHE 1023/4885ACHE 3458/4885PDK2 2742/4885
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 BCHE 732/4885ACHE 2849/4885PDK2 1957/4885

“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.