SCHEMBL6090737

SCHEMBL6090737

CC(C)(C)C(=O)Nc1c(C(=O)O)n(Cc2cccc(Cl)c2)c2cc(-c3cc(F)cc(F)c3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.45
GRIN2B Q13224 2/20 0.45
PTGES O14684 2/20 0.42
PLA2G2A P14555 1/20 0.39
CCR2 P41597 1/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
NPY2R P49146 1/20 0.37
SERPINE1 P05121 3/20 0.37
CCR9 P51686 1/20 0.36
PTGES2 Q9H7Z7 3/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL6092260 0.88 SERPINE1 (0.43) GRIN1GRIN2BPTGESPLA2G2ASERPINE1
SCHEMBL6089685 0.86 GRIN1 (0.44) GRIN1GRIN2BPTGESPLA2G2ACCR2
SCHEMBL6093252 0.86 GRIN1 (0.45) GRIN1GRIN2BPTGESPLA2G2ACCR2
SCHEMBL6089650 0.85 GRIN1 (0.44) GRIN1GRIN2BPTGESCCR2POLB
SCHEMBL6091368 0.85 GRIN1 (0.43) GRIN1GRIN2BPTGESPLA2G2A
SCHEMBL6092477 0.84 PTGER4 (0.43) GRIN1GRIN2BPTGESPLA2G2A
SCHEMBL6090341 0.83 TP53 (0.43) GRIN1GRIN2BPTGESPLA2G2ACCR2
SCHEMBL6090994 0.83 TP53 (0.46) GRIN1GRIN2BPTGESPOLBTP53
SCHEMBL6094279 0.83 GRIN1 (0.42) GRIN1GRIN2BPTGESPLA2G2ACCR2
SCHEMBL6089800 0.83 GRIN1 (0.43) GRIN1GRIN2BPTGESCCR2POLB

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 GRIN1 1424/4885GRIN2B 2380/4885PTGES 4/4885

“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.