SCHEMBL6091691

SCHEMBL6091691

CCCCC(=O)Nc1c(C(=O)O)n(Cc2cccc(Cl)c2)c2cc(-c3ccc(OC(C)C)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
POLB P06746 2/20 0.44
PTGES O14684 1/20 0.43
THRB P10828 1/20 0.41
YWHAH Q04917 2/20 0.39
GSK3B P49841 2/20 0.39
S1PR3 Q99500 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MMEL1 Q495T6 1/20 0.37
PLA2G2A P14555 1/20 0.37
P2RX3 P56373 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 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
SCHEMBL6091172 0.95 TP53 (0.41) TP53POLBPTGESTHRBYWHAH
SCHEMBL6092963 0.88 TP53 (0.43) TP53PTGESTHRBYWHAHGSK3B
SCHEMBL6090079 0.88 TP53 (0.42) TP53POLBPTGESYWHAHS1PR3
SCHEMBL6089483 0.86 TP53 (0.44) TP53POLBPTGESYWHAHS1PR3
SCHEMBL6089609 0.85 PTGES (0.42) TP53PTGESTHRBGSK3BPLA2G2A
SCHEMBL6089685 0.85 GRIN1 (0.44) TP53POLBPTGESTHRBGSK3B
SCHEMBL6091379 0.85 YWHAH (0.45) TP53POLBPTGESYWHAH
SCHEMBL6091726 0.85 YWHAH (0.41) TP53POLBPTGESYWHAHADRB1
SCHEMBL6091713 0.84 YWHAH (0.40) TP53POLBPTGESYWHAHADRB1
SCHEMBL6091727 0.84 YWHAH (0.40) TP53POLBPTGESYWHAHADRB1

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 TP53 2032/4885POLB 3825/4885PTGES 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.