SCHEMBL6833974

SCHEMBL6833974

CC(=O)Nc1ccc(-c2cc3onc(C(=O)Nc4ccccc4C(=O)O)c3cc2NC(C)=O)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
S1PR1 P21453 4/20 0.41
S1PR3 Q99500 3/20 0.41
MPO P05164 1/20 0.39
HIF1A Q16665 3/20 0.39
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
GRIK1 P39086 1/20 0.38
MAP2K1 Q02750 1/20 0.38
HTT P42858 1/20 0.38
GRM4 Q14833 1/20 0.37

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
SCHEMBL6833746 0.90 KCNK2 (0.39) S1PR1S1PR3MPOHIF1AMAP2K1
SCHEMBL6833954 0.87 RORC (0.35) TAS2R14RXFP1S1PR1S1PR3MPO
SCHEMBL6818600 0.82 TP53 (0.34) TAS2R14S1PR1S1PR3MPOHIF1A
SCHEMBL6818246 0.80 TP53 (0.34) TAS2R14S1PR1S1PR3TP53MAP2K1
SCHEMBL6821982 0.80 TP53 (0.34) TAS2R14S1PR1S1PR3TP53
SCHEMBL6822026 0.80 EGLN2 (0.35) TAS2R14S1PR1S1PR3MPOTP53
SCHEMBL6822667 0.80 RORC (0.37) S1PR1S1PR3MAP2K1
SCHEMBL6818889 0.79 EGLN2 (0.34) TAS2R14S1PR1S1PR3MPOTP53
SCHEMBL6819469 0.79 RORC (0.36) S1PR1S1PR3MAP2K1
SCHEMBL6818406 0.79 RORC (0.34) TAS2R14S1PR1S1PR3MPOTP53

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 TAS2R14 1288/4885RXFP1 3523/4885CA12 3776/4885

“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.