SCHEMBL6079620

SCHEMBL6079620

O=NNC(CCc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.65
ACE P12821 9/20 0.63
TSHR P16473 1/20 0.51
CNR2 P34972 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
GGT1 P19440 1/20 0.47

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
SCHEMBL6079626 1.00 MME (0.65) MMEACETSHRCNR2CPA1
SCHEMBL21883789 0.84 MME (0.63) MMEACETSHR
SCHEMBL8255649 0.84 MME (0.68) MMEACETSHRCNR2GGT1
SCHEMBL5870198 0.84 MME (0.88) MMEACECPA1ACE2
SCHEMBL7222907 0.84 MME (0.68) MMEACETSHRCNR2CPA1
SCHEMBL8258027 0.84 MME (0.88) MMEACECPA1ACE2
SCHEMBL8835606 0.84 MME (0.58) MMEACECPA1ACE2
SCHEMBL8835601 0.84 MME (0.58) MMEACECPA1ACE2
SCHEMBL8248703 0.83 MME (0.66) MMEACETSHR
SCHEMBL8257746 0.83 MME (0.66) MMEACETSHRCNR2CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045619-B2 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-05-16 US disclosed
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2003-09-04 US disclosed
EP-0725783-B1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP disclosed
US-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2002-10-10 US disclosed
US-5612477-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C 1997-03-18 US disclosed
US-5606051-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-25 US disclosed
EP-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 WO 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-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives DPEP1, DHPS, JMJD6 MME 875/4885ACE 831/4885TSHR 4511/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 MME 1239/4885ACE 1316/4885TSHR 4670/4885

“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.