SCHEMBL3334929

SCHEMBL3334929

CC(C)[C@H](N)C(=O)OCc1cscn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.37
CTSK P43235 1/20 0.37
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
ALOX5 P09917 1/20 0.34
ACACB O00763 1/20 0.34
SLC6A3 Q01959 2/20 0.34
OPRD1 P41143 1/20 0.34
GRM5 P41594 1/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PSMB5 P28074 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL3999262 0.78 PKM (0.45) MAPK1NPSR1PKMCTSKDPP4
SCHEMBL3338970 0.77 MAPK1 (0.43) MAPK1NPSR1PKMALOX5ACACB
SCHEMBL3999264 0.77 PKM (0.44) MAPK1NPSR1PKMALOX5SLC6A3
SCHEMBL5543425 0.75 CTSK (0.47) MAPK1NPSR1PKMCTSKALOX5
SCHEMBL7279888 0.75 MAPK1 (0.40) MAPK1NPSR1PKMCTSKALOX5
SCHEMBL5539302 0.74 MAPK1 (0.41) MAPK1NPSR1PKMCTSKALOX5
SCHEMBL5498267 0.73 GLA (0.33) MAPK1NPSR1PKMCTSKDPP4
SCHEMBL19582194 0.73 PGR (0.56) MAPK1MAPT
SCHEMBL19582171 0.73 PSMB5 (0.37) ACACBGRM5PSMB5TDP1
SCHEMBL19582170 0.73 PSMB5 (0.37) ACACBGRM5PSMB5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 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-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT MAPK1 3261/4885NPSR1 2514/4885PKM 1825/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM MAPK1 4531/4885NPSR1 1723/4885PKM 2870/4885

“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.