SCHEMBL6077012

SCHEMBL6077012

CC(=O)c1cc(C)n(CC(O[SiH](C)C)C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ AURKA O14965 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ PTGER1 P34995 3/20 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
SCHEMBL6076784 0.90 APAF1 (0.39) LMNAAPAF1POLBPTGER1
SCHEMBL6077984 0.86 NR1H2 (0.38) LMNAAPAF1POLBAURKARPS6KB1
SCHEMBL6077001 0.72 — —
SCHEMBL6078641 0.69 AURKA (0.56) LMNAAPAF1POLBAURKARPS6KB1
SCHEMBL22844156 0.68 AURKA (0.41) LMNAAPAF1POLBAURKARPS6KB1
SCHEMBL3737743 0.67 CYP19A1 (0.33) —
SCHEMBL6078083 0.67 KDM4E (0.42) LMNAAPAF1POLBAURKARPS6KB1
SCHEMBL6078187 0.66 CNR1 (0.45) LMNAPOLBAURKARPS6KB1
SCHEMBL6077004 0.66 DUT (0.35) LMNAAURKARPS6KB1PTGER1
SCHEMBL6082989 0.63 KDM4E (0.40) LMNAAPAF1POLBAURKARPS6KB1

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 LMNA 2604/4885APAF1 2787/4885POLB 2300/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 LMNA 2380/4885APAF1 2860/4885POLB 2514/4885

“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.

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