SCHEMBL5344533

SCHEMBL5344533

C=CCOC(=O)Nc1ccc(C2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
BCL2 P10415 2/20 0.40
GAA P10253 1/20 0.38
ESR1 P03372 2/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC29A1 Q99808 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
FAAH O00519 3/20 0.33
BECN1 Q14457 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CASP1 P29466 1/20 0.31
ACHE P22303 2/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL5347601 0.90 KDM4E (0.38) KDM4ELMNABCL2GAAESR1
SCHEMBL5353362 0.89 BCL2 (0.39) KDM4ELMNABCL2GAACSNK2A2
SCHEMBL14517780 0.88 GAA (0.38) KDM4ELMNABCL2GAAESR1
SCHEMBL5343622 0.86 KDM4E (0.40) KDM4ELMNABCL2ESR1CHRM1
SCHEMBL5353656 0.82 ESR1 (0.43) KDM4ELMNAGAAESR1CHRM1
SCHEMBL14517346 0.81 KDM4E (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL14517189 0.81 KDM4E (0.43) KDM4ELMNAGAAESR1CHRM1
SCHEMBL14517397 0.81 ALDH1A1 (0.44) KDM4ELMNAGAAESR1CHRM1
SCHEMBL14517774 0.81 LMNA (0.39) KDM4ELMNAGAAKMT2A
SCHEMBL14517306 0.81 PTPN1 (0.45) KDM4ELMNAESR1CHRM1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205291-B2 High mouth absorption; antibiotics against gramnegative, grampositive bacteria espscially Staphlococcus pneumonia, Hemophilus influenza DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-17 US disclosed
US-20050020566-A1 Novel carbapenem compounds DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-01-27 US disclosed
EP-1443047-A1 NOVEL CARBAPENEM COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-08-04 EP 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 (1 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-20050020566-A1 Novel carbapenem compounds HPN, PRSS1, BPGM KDM4E 3734/4885LMNA 366/4885BCL2 3597/4885

“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.