SCHEMBL6833916

SCHEMBL6833916

Cc1nc(C)c(S(=O)(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)n(C)c23)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.37
PPARG P37231 3/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
LMNA P02545 4/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK14 Q16539 1/20 0.33
HSD11B1 P28845 1/20 0.33
MDM2 Q00987 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE10A Q9Y233 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FBP1 P09467 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
SCHEMBL6916178 0.94 ALB (0.34) ALBPPARGPPARDPPARALMNA
SCHEMBL6916177 0.87 LMNA (0.33) LMNATP53MAPTFBP1
SCHEMBL6833335 0.85 ACLY (0.49) ALBPPARGPPARDPPARALMNA
SCHEMBL6834424 0.84 ALB (0.43) ALBPPARGPPARDPPARALMNA
SCHEMBL6834185 0.84 ACLY (0.45) ALBLMNATP53MAPTSMN1; SMN2
SCHEMBL6834048 0.83 ALB (0.42) ALBPPARGPPARDPPARALMNA
SCHEMBL6830636 0.82 GLO1 (0.44) ALBGAAPKM
SCHEMBL6835608 0.80 ALB (0.40) ALBPPARGPPARDPPARALMNA
SCHEMBL6835709 0.80 ALB (0.40) ALBPPARGPPARDPPARALMNA
SCHEMBL6834135 0.79 ALB (0.39) ALB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.