SCHEMBL6079042

SCHEMBL6079042

Cc1cc(C(=O)CC2CC(=O)N2[C@H](C)O[Si](C)(C)C(C)(C)C)nn1CCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
KCNH2 Q12809 1/20 0.32
ELANE P08246 1/20 0.32
SLC5A1 P13866 1/20 0.32
THRB P10828 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
PTGER1 P34995 2/20 0.31
ACHE P22303 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.31
MGLL Q99685 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.30
NAAA Q02083 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8925161 1.00 GRN (0.35) GRNSORT1KCNH2ELANESLC5A1
SCHEMBL6079047 1.00 GRN (0.35) GRNSORT1KCNH2ELANESLC5A1
SCHEMBL6079217 0.86
SCHEMBL6079212 0.86
SCHEMBL6079019 0.86 CNR1 (0.33)
SCHEMBL6079028 0.86 CNR1 (0.33)
SCHEMBL6078446 0.85
SCHEMBL6078450 0.85
SCHEMBL6078873 0.84 BAZ2B (0.33)
SCHEMBL6078880 0.84 BAZ2B (0.33)

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 5 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

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 GRN 4865/4885SORT1 4664/4885KCNH2 1263/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 GRN 4854/4885SORT1 4691/4885KCNH2 1102/4885

“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.