SCHEMBL6090143

SCHEMBL6090143

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
POLB P06746 3/20 0.37
CDK9 P50750 4/20 0.36
TP53 P04637 6/20 0.36
PTGES O14684 1/20 0.36
MAPT P10636 1/20 0.35
PLA2G2A P14555 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR2 P41597 1/20 0.33
MEN1 O00255 1/20 0.33
IDE P14735 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6091931 0.99 GRIN1 (0.41) GRIN1GRIN2BPOLBCDK9TP53
SCHEMBL6091938 0.99 GRIN1 (0.41) GRIN1GRIN2BPOLBCDK9TP53
SCHEMBL6091934 0.93 GRIN1 (0.40) GRIN1GRIN2BPOLBCDK9TP53
SCHEMBL6093147 0.84 GRIN1 (0.41) GRIN1GRIN2BPOLBCDK9TP53
SCHEMBL6090964 0.83 P2RX7 (0.42) GRIN1GRIN2BPTGESMEN1KMT2A
SCHEMBL6091649 0.83 GRIN1 (0.41) GRIN1GRIN2BPOLBCDK9TP53
SCHEMBL6091659 0.83 GRIN1 (0.41) GRIN1GRIN2BPOLBCDK9TP53
SCHEMBL6089685 0.83 GRIN1 (0.44) GRIN1GRIN2BPOLBTP53PTGES
SCHEMBL6089960 0.82 GRIN1 (0.39) GRIN1GRIN2BPOLBCDK9TP53
SCHEMBL6091003 0.82 MAPK1 (0.41) GRIN1GRIN2BPOLBTP53PTGES

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 2380/4885POLB 3825/4885

“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.