SCHEMBL3598856

SCHEMBL3598856

CC(=O)OC(c1cn2c(cnc3ccccc32)n1)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.32
GSK3B P49841 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
CXCR3 P49682 1/20 0.32
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3598857 1.00 PLCG1 (0.32) PLCG1GSK3BL3MBTL1HTTCXCR3
SCHEMBL3048860 0.90 PLCG1 (0.33) PLCG1L3MBTL1HTTRAB9A
SCHEMBL2928917 0.90 PLCG1 (0.33) PLCG1L3MBTL1HTTRAB9A
SCHEMBL2928920 0.90 PLCG1 (0.33) PLCG1L3MBTL1HTTRAB9A
SCHEMBL2923293 0.86 PLCG1 (0.33) PLCG1L3MBTL1HTTRAB9A
SCHEMBL4258695 0.85 CXCR3 (0.34) PLCG1GSK3BL3MBTL1CXCR3RAB9A
SCHEMBL3585090 0.82 POLB (0.32) PLCG1L3MBTL1HTT
SCHEMBL6702524 0.81 PLCG1 (0.35) PLCG1RAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL6702522 0.81 PLCG1 (0.35) PLCG1RAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL3049029 0.81 PLCG1 (0.35) PLCG1RAB9AALDH1A1CYP1A2CYP2C9

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-7691842-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-04-06 US disclosed
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-25 US disclosed
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 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 (4 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 PLCG1 3678/4885GSK3B 4379/4885L3MBTL1 2964/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP PLCG1 2494/4885GSK3B 622/4885L3MBTL1 661/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM PLCG1 3025/4885GSK3B 779/4885L3MBTL1 373/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 PLCG1 3678/4885GSK3B 4379/4885L3MBTL1 2964/4885

“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.