SCHEMBL3048860

SCHEMBL3048860

CC(=O)OC(c1cn2c(ccc3ccccc32)n1)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CSC21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.33
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2928920 1.00 PLCG1 (0.33) PLCG1RAB9AL3MBTL1HTT
SCHEMBL2928917 1.00 PLCG1 (0.33) PLCG1RAB9AL3MBTL1HTT
SCHEMBL3598857 0.90 PLCG1 (0.32) PLCG1RAB9AL3MBTL1HTT
SCHEMBL3598856 0.90 PLCG1 (0.32) PLCG1RAB9AL3MBTL1HTT
SCHEMBL2923293 0.88 PLCG1 (0.33) PLCG1RAB9AL3MBTL1HTT
SCHEMBL4258695 0.83 CXCR3 (0.34) PLCG1RAB9AL3MBTL1
SCHEMBL6702522 0.83 PLCG1 (0.35) PLCG1RAB9A
SCHEMBL3049029 0.83 PLCG1 (0.35) PLCG1RAB9A
SCHEMBL6702524 0.83 PLCG1 (0.35) PLCG1RAB9A
SCHEMBL3585090 0.82 POLB (0.32) PLCG1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499620-B1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH CORP (US) 2010-01-27 EP disclosed
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-04-06 US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 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-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP PLCG1 2494/4885RAB9A 2490/4885L3MBTL1 661/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP PLCG1 2469/4885RAB9A 2292/4885L3MBTL1 610/4885

“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.