SCHEMBL6090341

SCHEMBL6090341

COc1cc(OC)cc(C(=O)Nc2c(C(=O)O)n(Cc3cccc(Cl)c3)c3cc(-c4cc(F)cc(F)c4)ccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
POLB P06746 1/20 0.43
YWHAH Q04917 3/20 0.42
ALDH1A1 P00352 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
PTGES O14684 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CCR2 P41597 1/20 0.40
PLA2G2A P14555 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL6090994 0.94 TP53 (0.46) TP53POLBYWHAHGRIN1GRIN2B
SCHEMBL6093252 0.88 GRIN1 (0.45) TP53POLBALDH1A1GRIN1GRIN2B
SCHEMBL6089650 0.88 GRIN1 (0.44) POLBALDH1A1GRIN1GRIN2BPTGES
SCHEMBL6091176 0.87 PTGES (0.43) TP53POLBYWHAHGRIN1GRIN2B
SCHEMBL6089633 0.87 TP53 (0.48) TP53POLBYWHAHGRIN1GRIN2B
SCHEMBL6092260 0.86 SERPINE1 (0.43) GRIN1GRIN2BPTGESPLA2G2A
SCHEMBL6092477 0.86 PTGER4 (0.43) YWHAHGRIN1GRIN2BPTGESPLA2G2A
SCHEMBL6091449 0.86 PTGES (0.42) TP53POLBYWHAHGRIN1GRIN2B
SCHEMBL6091437 0.86 PTGES (0.42) TP53POLBYWHAHGRIN1GRIN2B
SCHEMBL6093213 0.86 PTGES (0.55) TP53POLBGRIN1GRIN2BPTGES

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-20060160879-A1 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-07-20 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-20060160879-A1 Indoles useful in the treatment of inflammation IDO1, PTGS1, IDO2 TP53 2032/4885POLB 3825/4885YWHAH 521/4885

“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.