SCHEMBL6091649

SCHEMBL6091649

CC1(C)CC(=CC(=O)Nc2c(C(=O)O)n(Cc3cccc(Cl)c3)c3cc(-c4cc(F)cc(F)c4)ccc23)CC(C)(C)C1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
PTGES O14684 1/20 0.37
POLB P06746 3/20 0.34
TP53 P04637 7/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
CCR2 P41597 1/20 0.33
PLA2G2A P14555 1/20 0.32
CDK9 P50750 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SERPINE1 P05121 1/20 0.32

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
SCHEMBL6093147 0.99 GRIN1 (0.41) GRIN1GRIN2BPTGESPOLBTP53
SCHEMBL6091659 0.98 GRIN1 (0.41) GRIN1GRIN2BPTGESPOLBTP53
SCHEMBL6091654 0.92 GRIN1 (0.40) GRIN1GRIN2BPTGESPOLBTP53
SCHEMBL6090833 0.87 GRIN1 (0.42) GRIN1GRIN2BPTGESPOLBTP53
SCHEMBL6091931 0.84 GRIN1 (0.41) GRIN1GRIN2BPTGESPOLBTP53
SCHEMBL6090143 0.83 GRIN1 (0.41) GRIN1GRIN2BPTGESPOLBTP53
SCHEMBL6091938 0.82 GRIN1 (0.41) GRIN1GRIN2BPTGESPOLBTP53
SCHEMBL6089800 0.81 GRIN1 (0.43) GRIN1GRIN2BPTGESPOLBHPGD
SCHEMBL6089799 0.81 GRIN1 (0.43) GRIN1GRIN2BPTGESPOLBHPGD
SCHEMBL6090737 0.80 GRIN1 (0.45) GRIN1GRIN2BPTGESPOLBTP53

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.