SCHEMBL6834074

SCHEMBL6834074

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(S(=O)(=O)c3ccccc3)c21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.44
PPARG P37231 5/20 0.39
PPARD Q03181 5/20 0.39
PPARA Q07869 4/20 0.39
FBP1 P09467 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.36
SLC16A1 P53985 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TRPA1 O75762 1/20 0.36
KAT6A Q92794 3/20 0.36

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
SCHEMBL7069536 0.87 PTPRC (0.41) PPARGPPARDPPARAGFERSLC16A1
SCHEMBL6833958 0.86 AKR1C4 (0.47) ALBPPARGPPARDPPARASLC16A1
SCHEMBL6830878 0.86 AKR1C2 (0.47) ALBPPARGPPARDPPARAGFER
SCHEMBL6833985 0.84 ALB (0.42) ALBHTTGFERTP53LMNA
SCHEMBL6834424 0.83 ALB (0.43) ALBPPARGPPARDPPARAHTT
SCHEMBL6834598 0.83 SERPINE1 (0.42) ALBHTTGFERTP53LMNA
SCHEMBL6830635 0.83 ALB (0.41) ALBHTTGFERTP53LMNA
SCHEMBL6833427 0.82 ALB (0.50) ALBTP53LMNAMAPTTRPA1
SCHEMBL6711652 0.82 FBP1 (0.33) FBP1LMNATRPA1
SCHEMBL6818793 0.82 ALB (0.42) ALBPPARGPPARDPPARAFBP1

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 1417/4885PPARG 285/4885PPARD 123/4885

“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.