SCHEMBL6624707

SCHEMBL6624707

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cn4cnc(SCCN)c4s3)C[C@H]12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
ESR1 P03372 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC29A1 Q99808 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
SCHEMBL6622514 0.92 KDM4E (0.44) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6886873 0.92 KDM4E (0.44) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6773435 0.91 KDM4E (0.43) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6770670 0.88 KDM4E (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6623589 0.87 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6886812 0.87 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6624807 0.86 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6892801 0.84 KDM4E (0.42) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL7722334 0.84 KDM4E (0.37) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL6887914 0.84 KDM4E (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251133-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2004-10-13 EP disclosed
US-6680313-B2 1-HYDROXYETHYL-2(IMIDAZO(5,1B)THIAZOL-2-YL-1-CARBAPEN-2-EM-3-C CARBOXYLIC ACID OR SALT, EXCELLENT ANTIBIOTIC ACTIVITY AGAINST A WIDE SPECTRUM OF BACTERIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-20 US disclosed
US-20030027809-A1 Novel carbapenum derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-06 US disclosed
EP-1251133-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 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-20030027809-A1 Novel carbapenum derivatives DHPS, DPEP1, OXA1L KDM4E 720/4885LMNA 3002/4885ESR1 4621/4885

“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.