SCHEMBL3333951

SCHEMBL3333951

CC(=O)OCCOCc1cscn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM5 P41594 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 2/20 0.36
ALOX5 P09917 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
ACACB O00763 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
MEN1 O00255 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
SCHEMBL16252212 0.85 MAPK1 (0.38) ALDH1A1TSHRMAPK1NPSR1PKM
SCHEMBL3338970 0.85 MAPK1 (0.43) ALDH1A1TSHRMAPK1NPSR1GRM5
SCHEMBL3331621 0.78 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1NPSR1GRM5
SCHEMBL3999262 0.76 PKM (0.45) ALDH1A1TSHRMAPK1NPSR1GRM5
SCHEMBL21601899 0.76 LMNA (0.34) ALDH1A1TSHRMAPK1NPSR1PKM
SCHEMBL3999264 0.74 PKM (0.44) ALDH1A1MAPK1NPSR1GRM5PKM
Ethoxycarbonyl Group SCHEMBL27832029 0.74 MAPK1 (0.36) ALDH1A1MAPK1NPSR1GRM5PKM
SCHEMBL3336038 0.73 GRM5 (0.39) ALDH1A1MAPK1NPSR1GRM5PKM
SCHEMBL5539302 0.72 MAPK1 (0.41) ALDH1A1MAPK1NPSR1GRM5PKM
Bromide SCHEMBL28091560 0.71 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1NPSR1GRM5

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 ALDH1A1 1218/4885TSHR 1626/4885MAPK1 3261/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM ALDH1A1 1182/4885TSHR 1341/4885MAPK1 4531/4885

“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.