SCHEMBL6077004

SCHEMBL6077004

CC(=O)c1cc(C)n(CCO[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 2/20 0.33
PTGER1 P34995 2/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
BAZ2B Q9UIF8 1/20 0.31
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 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
SCHEMBL6076773 0.89 PTGER1 (0.42) KDM4EPTGER1
SCHEMBL6077974 0.86 KMT2A (0.38) KDM4ETSHRAURKARPS6KB1GAA
SCHEMBL13125276 0.82 KDM4E (0.42) DUTKDM4EPTGER1
SCHEMBL6078187 0.80 CNR1 (0.45) CNR1CNR2KDM4ETSHRAURKA
SCHEMBL31206670 0.79 GLS (0.36) DUTKDM4ETSHRGAAMAPT
SCHEMBL13125241 0.79 DUT (0.39) DUTCNR1CNR2KDM4EGAA
SCHEMBL3004554 0.77 DUT (0.36) DUTKDM4ETSHRGAAMAPT
SCHEMBL6078075 0.76 TSHR (0.48) CNR1CNR2KDM4ETSHRPTGER1
SCHEMBL25594852 0.75 DUT (0.34) DUT
SCHEMBL6078083 0.75 KDM4E (0.42) KDM4EAURKARPS6KB1GAALMNA

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 6 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

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 DUT 197/4885CNR1 1553/4885CNR2 2280/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 DUT 265/4885CNR1 1509/4885CNR2 2320/4885

“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.