SCHEMBL3337133

SCHEMBL3337133

O=C(c1cscn1)N1CC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.44
PKM P14618 1/20 0.43
RIPK1 Q13546 1/20 0.42
NAMPT P43490 2/20 0.40
MGLL Q99685 6/20 0.40
CNR2 P34972 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37

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
SCHEMBL31738592 0.85 POLB (0.46) KDM4EPOLBPKMRIPK1NAMPT
SCHEMBL2517603 0.83 RIPK1 (0.51) KDM4EPOLBPKMRIPK1NAMPT
SCHEMBL585181 0.81 CHRNA4 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3332641 0.81 KDM4E (0.42) KDM4EPOLBPKMRIPK1NAMPT
SCHEMBL3329035 0.79 KDM4E (0.50) KDM4EPOLBPKMRIPK1NAMPT
SCHEMBL27971608 0.77 PKM (0.49) KDM4EPOLBPKMRIPK1NAMPT
SCHEMBL2722252 0.76 POLB (0.48) KDM4EPOLBPKMRIPK1NAMPT
SCHEMBL24916229 0.75 KDM5A (0.46) KDM4EPOLBPKMRIPK1NAMPT
SCHEMBL2310817 0.75 SMN1; SMN2 (0.53) KDM4ENAMPTALDH1A1CHRM2CHRM3
SCHEMBL13532859 0.75 KDM4E (0.46) KDM4EPOLBPKMRIPK1NAMPT

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 10 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
CN-101193891-A 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA (JP) 2008-06-04 CN 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
CN-101193891-A 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA (JP) 2008-06-04 CN 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 3386/4885POLB 2735/4885PKM 1825/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM KDM4E 2518/4885POLB 2365/4885PKM 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.