SCHEMBL6770987

SCHEMBL6770987

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cn4cnc(SCCNC(=O)OCc5ccc([N+](=O)[O-])cc5)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
ELANE P08246 2/20 0.32
PLCG1 P19174 1/20 0.31
HTR2A P28223 1/20 0.31
TGM2 P21980 1/20 0.30

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
SCHEMBL6624443 0.97 DPP8 (0.34) DPP8DPP9ELANEPLCG1HTR2A
SCHEMBL6623539 0.93 CACNA1C (0.30)
SCHEMBL6893286 0.88 PLCG1 (0.33) DPP8DPP9ELANEPLCG1HTR2A
SCHEMBL7731889 0.88 ELANE (0.37) ELANEPLCG1HTR2A
SCHEMBL6889515 0.88 PLCG1 (0.32) DPP8DPP9ELANEPLCG1HTR2A
SCHEMBL6624626 0.87 KDM4E (0.34) DPP8DPP9ELANEPLCG1TGM2
SCHEMBL7722340 0.86 ELANE (0.41) ELANEPLCG1HTR2A
SCHEMBL6891530 0.85 DPP8 (0.30) DPP8DPP9ELANE
SCHEMBL7722386 0.85 L3MBTL1 (0.40) ELANEPLCG1HTR2A
SCHEMBL6771548 0.84 ELANE (0.33) ELANEPLCG1HTR2A

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 DPP8 173/4885DPP9 312/4885ELANE 3459/4885

“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.