SCHEMBL3333100

SCHEMBL3333100

O=C(NCCO)c1ncsc1/C=C\SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
ACSS2 Q9NR19 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
THPO P40225 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
PMP22 Q01453 1/20 0.33
POLB P06746 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA2B P29275 1/20 0.32
SCN9A Q15858 1/20 0.32
CHEK1 O14757 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
SCHEMBL3331672 0.94 HTT (0.36) ALDH1A1ACSS2MEN1KMT2ACYP1A2
SCHEMBL3330297 0.88 HDAC3 (0.32) CYP1A2CYP3A4THPOLMNAPMP22
SCHEMBL3332133 0.84 KIF11 (0.38) ALDH1A1ACSS2MEN1KMT2AKDM4E
SCHEMBL3334068 0.84 KDM4E (0.44) ALDH1A1CYP1A2KDM4E
SCHEMBL3334072 0.84 KDM4E (0.44) ALDH1A1CYP1A2KDM4E
SCHEMBL3329351 0.80 KDM4E (0.35) KMT2ACYP1A2KDM4EADORA2A
SCHEMBL3329349 0.80 KDM4E (0.35) KMT2ACYP1A2KDM4EADORA2A
SCHEMBL3329995 0.80 KDM4E (0.35) ALDH1A1LMNAKDM4EHSD17B10L3MBTL1
SCHEMBL3330371 0.80 KDM4E (0.35) ALDH1A1LMNAKDM4EHSD17B10L3MBTL1
SCHEMBL3329991 0.80 KDM4E (0.35) ALDH1A1LMNAKDM4EHSD17B10L3MBTL1

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 ALDH1A1 1218/4885ACSS2 3492/4885MEN1 3301/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM ALDH1A1 1182/4885ACSS2 1965/4885MEN1 2685/4885

“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.