SCHEMBL6830452

SCHEMBL6830452

N#Cc1ccc(NC(=O)c2cc3cccc(S(=O)(=O)c4ccccc4)c3[nH]2)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.45
PLA2G7 Q13093 1/20 0.40
NSD2 O96028 1/20 0.40
BCAT1 P54687 1/20 0.39
NHERF1 O14745 1/20 0.39
FEN1 P39748 1/20 0.39
HTT P42858 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
GFER P55789 1/20 0.38
SLC16A1 P53985 1/20 0.37
CDK2 P24941 1/20 0.37
KAT6A Q92794 2/20 0.37

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
SCHEMBL6833115 0.85 AKR1C2 (0.49) ALBNSD2BCAT1NHERF1
SCHEMBL6835794 0.85 NHERF1 (0.53) ALBNHERF1SLC16A1
SCHEMBL6834154 0.83 KMT2A (0.49) ALBNHERF1NR1H4
SCHEMBL6709847 0.83 PLA2G7 (0.47) PLA2G7NSD2BCAT1
SCHEMBL6833156 0.83 ALB (0.43) ALBPLA2G7NHERF1NR1H4
SCHEMBL6833085 0.82 ALB (0.43) ALBNSD2NHERF1HTTGFER
SCHEMBL6818302 0.82 NSD2 (0.58) ALBNSD2NHERF1GFER
SCHEMBL6830559 0.82 NHERF1 (0.45) ALBNSD2NHERF1HTT
SCHEMBL6712405 0.82 PLA2G7 (0.35) PLA2G7NSD2BCAT1FEN1
SCHEMBL6835708 0.82 CCKAR (0.51) NHERF1

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
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALB 1417/4885PLA2G7 3381/4885NSD2 3447/4885

“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.