SCHEMBL3331672

SCHEMBL3331672

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
HIF1A Q16665 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
THPO P40225 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 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
SCHEMBL3333100 0.94 ALDH1A1 (0.34) ACSS2HDAC3HDAC1HDAC6MEN1
SCHEMBL3330297 0.86 HDAC3 (0.32) HDAC3HDAC1HDAC6CYP1A2CYP3A4
SCHEMBL3332133 0.82 KIF11 (0.38) ACSS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL3334068 0.82 KDM4E (0.44) CYP1A2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3334072 0.82 KDM4E (0.44) CYP1A2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3329349 0.79 KDM4E (0.35) KMT2ARAB9ACYP1A2KDM4E
SCHEMBL3329351 0.79 KDM4E (0.35) KMT2ARAB9ACYP1A2KDM4E
SCHEMBL3329995 0.78 KDM4E (0.35) HIF1AL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3330371 0.78 KDM4E (0.35) HIF1AL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3329991 0.78 KDM4E (0.35) HIF1AL3MBTL1KDM4EALDH1A1SMN1; SMN2

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 HTT 3272/4885ACSS2 3492/4885HIF1A 4404/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM HTT 3371/4885ACSS2 1965/4885HIF1A 4402/4885

“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.