SCHEMBL6090964

SCHEMBL6090964

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(C(=O)O)n(Cc2cccc(Cl)c2)c2cc(-c3cc(F)cc(F)c3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
EPHX2 P34913 1/20 0.37
PTGES O14684 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNA3 P22001 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
SCHEMBL6091396 0.89 P2RX7 (0.42) P2RX7GRIN1GRIN2BEPHX2PTGES
SCHEMBL6092264 0.88 P2RX7 (0.42) P2RX7GRIN1GRIN2BEPHX2PTGES
SCHEMBL6092278 0.88 P2RX7 (0.42) P2RX7GRIN1GRIN2BEPHX2PTGES
SCHEMBL6090143 0.83 GRIN1 (0.41) GRIN1GRIN2BPTGESMEN1KMT2A
SCHEMBL6092269 0.83 P2RX7 (0.41) P2RX7GRIN1GRIN2BEPHX2MEN1
SCHEMBL6091931 0.83 GRIN1 (0.41) GRIN1GRIN2BPTGESMEN1KMT2A
SCHEMBL6091938 0.83 GRIN1 (0.41) GRIN1GRIN2BPTGESMEN1KMT2A
SCHEMBL6089685 0.82 GRIN1 (0.44) GRIN1GRIN2BPTGES
SCHEMBL6091003 0.81 MAPK1 (0.41) GRIN1GRIN2BEPHX2PTGESMEN1
SCHEMBL6089960 0.81 GRIN1 (0.39) P2RX7GRIN1GRIN2BEPHX2PTGES

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 P2RX7 751/4885GRIN1 1424/4885GRIN2B 2380/4885

“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.