SCHEMBL14200545

SCHEMBL14200545

CC(C)CNCCNS(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.45
CA1 P00915 6/20 0.45
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
ANPEP P15144 1/20 0.35
PPARA Q07869 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
CA12 O43570 5/20 0.34
CA9 Q16790 5/20 0.34
CA14 Q9ULX7 4/20 0.34
CA7 P43166 1/20 0.34
CA5A P35218 2/20 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
SCHEMBL292699 0.79
SCHEMBL21290616 0.76 CA2 (0.45) CA2SCN1ASCN2ASCN3AANPEP
SCHEMBL1005943 0.75 ADH1B (0.45) CA2SCN1ASCN2ASCN3AANPEP
SCHEMBL966015 0.75 CA1 (0.50) CA2CA1ANPEPPPARACA12
SCHEMBL15872014 0.75 CA1 (0.56) CA2CA1PPARACA12CA9
SCHEMBL26073798 0.74 ADH1B (0.35) CA2ADH1BADH1CADH1ACA12
SCHEMBL14200565 0.73 CA1 (0.48) CA2CA1PPARACA12CA9
SCHEMBL4920164 0.72 ADH1B (0.43) CA2CA1SCN1ASCN2ASCN3A
SCHEMBL5038379 0.72 ADH1B (0.43) CA2CA1SCN1ASCN2ASCN3A
SCHEMBL4919942 0.72 ADH1B (0.43) CA2CA1SCN1ASCN2ASCN3A

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-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 CA2 2487/4885CA1 3378/4885SCN1A 804/4885

“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.