SCHEMBL6833943

SCHEMBL6833943

CN(CC(O)C(O)C(O)C(O)CO)C(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.33
TRPA1 O75762 1/20 0.33
ABCC1 P33527 1/20 0.32
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MAPK14 Q16539 1/20 0.31
IMPDH2 P12268 1/20 0.31
PKM P14618 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PYGL P06737 1/20 0.30
KDM1A O60341 2/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL6710277 0.83
SCHEMBL6833757 0.80 ALB (0.35) ALBTRPA1LMNATP53MAPT
SCHEMBL6833763 0.79 ALB (0.39) ALBLMNATP53MAPTMAPK14
SCHEMBL6833427 0.79 ALB (0.50) ALBTRPA1LMNATP53MAPT
SCHEMBL6833985 0.76 ALB (0.42) ALBTRPA1LMNATP53MAPT
SCHEMBL6834048 0.76 ALB (0.42) ALBLMNATP53MAPTMAPK14
SCHEMBL6833805 0.76 ALK (0.39) ALBTRPA1LMNATP53MAPT
SCHEMBL6833801 0.76 ALK (0.39) ALBTRPA1LMNATP53MAPT
SCHEMBL6834424 0.76 ALB (0.43) ALBLMNATP53MAPTPKM
SCHEMBL6835787 0.76 CFD (0.47) ALBLMNAKMT2A

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 1417/4885TRPA1 377/4885ABCC1 2452/4885

“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.