SCHEMBL3033995

SCHEMBL3033995

CC(=O)OC(c1cn(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(Cc2ccccc2)n1)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CSC21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.36
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.32
RAB9A P51151 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE1C Q14123 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
SCHEMBL6702233 1.00 PLCG1 (0.36) PLCG1ALDH1A1KMT2ATDP1ATM
SCHEMBL6702237 1.00 PLCG1 (0.36) PLCG1ALDH1A1KMT2ATDP1ATM
SCHEMBL6702524 0.90 PLCG1 (0.35) PLCG1ALDH1A1KMT2ATDP1RAB9A
SCHEMBL3049029 0.90 PLCG1 (0.35) PLCG1ALDH1A1KMT2ATDP1RAB9A
SCHEMBL6702522 0.90 PLCG1 (0.35) PLCG1ALDH1A1KMT2ATDP1RAB9A
SCHEMBL6703668 0.84 POLB (0.32) PLCG1ALDH1A1
SCHEMBL3048174 0.84 POLB (0.32) PLCG1ALDH1A1
SCHEMBL6703665 0.84 POLB (0.32) PLCG1ALDH1A1
SCHEMBL2929065 0.83 PLCG1 (0.32) PLCG1ALDH1A1KMT2A
SCHEMBL2928920 0.82 PLCG1 (0.33) PLCG1RAB9A

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 2 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 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 (1 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 3678/4885ALDH1A1 998/4885KMT2A 3127/4885

“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.