SCHEMBL3049029

SCHEMBL3049029

CC(=O)OC(c1cn(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CSC21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE1C Q14123 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6702524 1.00 PLCG1 (0.35) PLCG1ADORA3CYP3A4MAPK1ALDH1A1
SCHEMBL6702522 1.00 PLCG1 (0.35) PLCG1ADORA3CYP3A4MAPK1ALDH1A1
SCHEMBL3033995 0.90 PLCG1 (0.36) PLCG1ADORA3CYP3A4ALDH1A1KMT2A
SCHEMBL6702237 0.90 PLCG1 (0.36) PLCG1ADORA3CYP3A4ALDH1A1KMT2A
SCHEMBL6702233 0.90 PLCG1 (0.36) PLCG1ADORA3CYP3A4ALDH1A1KMT2A
SCHEMBL3048174 0.88 POLB (0.32) PLCG1ALDH1A1POLBSMN1; SMN2
SCHEMBL6703665 0.88 POLB (0.32) PLCG1ALDH1A1POLBSMN1; SMN2
SCHEMBL6703668 0.88 POLB (0.32) PLCG1ALDH1A1POLBSMN1; SMN2
SCHEMBL3037698 0.84 PLCG1 (0.35) PLCG1CYP3A4ALDH1A1RAB9ACYP1A2
SCHEMBL3588572 0.84 PLCG1 (0.35) PLCG1CYP3A4ALDH1A1RAB9ACYP1A2

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 3678/4885ADORA3 4105/4885CYP3A4 255/4885

“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.