SCHEMBL6089685

SCHEMBL6089685

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
THRB P10828 1/20 0.42
TP53 P04637 2/20 0.41
GSK3B P49841 3/20 0.41
PTGES O14684 1/20 0.40
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 2/20 0.38
PLA2G2A P14555 1/20 0.38
CACNA1G O43497 1/20 0.37
CCR2 P41597 1/20 0.37

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
SCHEMBL6089609 0.88 PTGES (0.42) GRIN1GRIN2BTHRBTP53GSK3B
SCHEMBL6091457 0.87 GRIN1 (0.41) GRIN1GRIN2BTP53POLB
SCHEMBL6090135 0.86 TP53 (0.46) GRIN1GRIN2BTP53PTGESPOLB
SCHEMBL6090737 0.86 GRIN1 (0.45) GRIN1GRIN2BTP53PTGESPOLB
SCHEMBL6091003 0.86 MAPK1 (0.41) GRIN1GRIN2BTP53PTGESALDH1A1
SCHEMBL6091691 0.85 TP53 (0.44) THRBTP53GSK3BPTGESPOLB
SCHEMBL6091172 0.85 TP53 (0.41) THRBTP53GSK3BPTGESALDH1A1
SCHEMBL5747009 0.85 THRB (0.45) THRBTP53GSK3BCCR2
SCHEMBL6089633 0.85 TP53 (0.48) GRIN1GRIN2BTP53PTGESPOLB
SCHEMBL6093252 0.84 GRIN1 (0.45) GRIN1GRIN2BTP53PTGESALDH1A1

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 2380/4885THRB 1146/4885

“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.