SCHEMBL6835709

SCHEMBL6835709

CCCS(=O)(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.40
MAPK14 Q16539 1/20 0.38
BRAF P15056 2/20 0.36
KCNA5 P22460 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6834135 0.95 ALB (0.39) ALB
SCHEMBL6834048 0.94 ALB (0.42) ALBMAPK14PPARGPPARDPPARA
SCHEMBL6834030 0.91 ALB (0.39) ALBPPARGPPARDPPARARXFP1
SCHEMBL6835608 0.90 ALB (0.40) ALBMAPK14PPARGPPARDPPARA
SCHEMBL6834424 0.88 ALB (0.43) ALBPPARGPPARDPPARALMNA
SCHEMBL6833763 0.84 ALB (0.39) ALBMAPK14RXFP1LMNATP53
SCHEMBL6833427 0.82 ALB (0.50) ALBLMNATP53MAPT
SCHEMBL6833985 0.81 ALB (0.42) ALBLMNATP53MAPT
SCHEMBL6830636 0.81 GLO1 (0.44) ALB
SCHEMBL6830635 0.81 ALB (0.41) ALBLMNATP53MAPT

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 1417/4885MAPK14 2632/4885BRAF 3268/4885

“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.