SCHEMBL3329995

SCHEMBL3329995

COC(=O)c1ncsc1C=CSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNN4 O15554 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
STAT3 P40763 1/20 0.32
HIF1A Q16665 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
SCHEMBL3330371 1.00 KDM4E (0.35) KDM4EMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3329991 1.00 KDM4E (0.35) KDM4EMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3334068 0.87 KDM4E (0.44) KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL3334072 0.87 KDM4E (0.44) KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL3332133 0.86 KIF11 (0.38) KDM4EALDH1A1HPGDMAPK10
SCHEMBL3329351 0.84 KDM4E (0.35) KDM4EMAPT
SCHEMBL3329349 0.84 KDM4E (0.35) KDM4EMAPT
SCHEMBL3332677 0.83 KIF11 (0.37) KDM4EHIF1A
SCHEMBL3333100 0.80 ALDH1A1 (0.34) KDM4EL3MBTL1ALDH1A1HSD17B10LMNA
SCHEMBL3330297 0.79 HDAC3 (0.32) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 3386/4885MAPT 3619/4885L3MBTL1 2160/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM KDM4E 2518/4885MAPT 3579/4885L3MBTL1 1129/4885

“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.