SCHEMBL6076773

SCHEMBL6076773

Cc1cc(C(=O)O)nn1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.42
PTGER3 P43115 1/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13125276 0.92 KDM4E (0.42) PTGER1PTGER3CYP1A2KDM4E
SCHEMBL6077004 0.89 DUT (0.35) PTGER1KDM4E
SCHEMBL6077974 0.86 KMT2A (0.38) CYP1A2KDM4E
SCHEMBL31206670 0.79 GLS (0.36) KDM4E
SCHEMBL13125241 0.79 DUT (0.39) CYP1A2KDM4E
SCHEMBL21628345 0.78 GRN (0.40) KDM4E
SCHEMBL13659680 0.77 PTGER1 (0.44) PTGER1PTGER3CYP1A2KDM4E
SCHEMBL3004554 0.77 DUT (0.36) KDM4E
SCHEMBL26003574 0.75 GRN (0.40) KDM4E
SCHEMBL10274471 0.75 AURKA (0.47) PTGER1PTGER3KDM4E

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 PTGER1 435/4885PTGER3 2666/4885CYP1A2 785/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 PTGER1 454/4885PTGER3 2761/4885CYP1A2 769/4885

“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.