SCHEMBL6771850

SCHEMBL6771850

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.34
ESR1 P03372 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 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
SCHEMBL6624604 0.93 CACNA1C (0.33) CACNA1CESR1PTGS1PDE4AKDM4E
SCHEMBL6767067 0.93 CACNA1C (0.33) CACNA1CESR1PTGS1PDE4AKDM4E
SCHEMBL6771009 0.92 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4AKDM4E
SCHEMBL6772792 0.90 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4AKDM4E
SCHEMBL6624812 0.90 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4AKDM4E
SCHEMBL6622380 0.90 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4AKDM4E
SCHEMBL6623699 0.90 CACNA1C (0.35) CACNA1CESR1PTGS1PDE4AKDM4E
SCHEMBL6623238 0.90 CACNA1C (0.33) CACNA1CESR1PTGS1PDE4AKDM4E
SCHEMBL6621372 0.90 CACNA1C (0.35) CACNA1CESR1PTGS1PDE4AKDM4E
SCHEMBL6772192 0.89 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4A

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-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type MEIJI SEIKA KAISHA, LTD. (JP) 2003-01-30 US disclosed
EP-1251134-A1 NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE 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-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 CACNA1C 1855/4885ESR1 4807/4885PTGS1 2945/4885

“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.