SCHEMBL6835608

SCHEMBL6835608

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(NS(=O)(=O)CS(C)(=O)=O)c21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.40
PPARG P37231 3/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MCL1 Q07820 2/20 0.34
PKM P14618 1/20 0.34
MAPK14 Q16539 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FBP1 P09467 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL6834048 0.92 ALB (0.42) ALBPPARGPPARDPPARALMNA
SCHEMBL6834424 0.90 ALB (0.43) ALBPPARGPPARDPPARALMNA
SCHEMBL6835709 0.90 ALB (0.40) ALBPPARGPPARDPPARALMNA
SCHEMBL6916178 0.89 ALB (0.34) ALBPPARGPPARDPPARALMNA
SCHEMBL6834135 0.88 ALB (0.39) ALB
SCHEMBL6834030 0.87 ALB (0.39) ALBPPARGPPARDPPARAPKM
SCHEMBL6833763 0.84 ALB (0.39) ALBLMNATP53MAPTPKM
SCHEMBL6833427 0.82 ALB (0.50) ALBLMNATP53MAPTMCL1
SCHEMBL6916177 0.82 LMNA (0.33) LMNATP53MAPTFBP1
SCHEMBL6833985 0.81 ALB (0.42) ALBLMNATP53MAPTKMT2A

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.