SCHEMBL6091490

SCHEMBL6091490

COc1ccc(C(=O)Nc2c(C(=O)O)n(Cc3cccc(Cl)c3)c3ccc(-c4ccc(SC)cc4)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
PLA2G2A P14555 3/20 0.43
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42
ABCB1 P08183 1/20 0.42
CCR2 P41597 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTGES O14684 1/20 0.41
TDP2 O95551 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
YWHAH Q04917 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6093678 0.86 TP53 (0.41) TP53PLA2G2AABCB1CCR2PTGES
SCHEMBL6091628 0.83 PLA2G2A (0.41) PLA2G2AEDNRBEDNRAABCB1CCR2
SCHEMBL6091379 0.83 YWHAH (0.45) TP53ABCB1RXFP1PTGESYWHAH
SCHEMBL6092174 0.82 THRB (0.44) TP53PLA2G2ACCR2RXFP1PTGES
SCHEMBL6091652 0.82 SERPINE1 (0.54) PLA2G2APTGES
SCHEMBL6090994 0.82 TP53 (0.46) TP53RXFP1PTGESKDM4EMEN1
SCHEMBL6089976 0.80 PTGES (0.44) PLA2G2AABCB1PTGESMEN1KMT2A
SCHEMBL5735694 0.79 RXFP1 (0.45) TP53EDNRBEDNRACCR2RXFP1
SCHEMBL6091169 0.79 ALDH1A1 (0.46) PLA2G2ACCR2KDM4EALDH1A1
SCHEMBL6089483 0.78 TP53 (0.44) TP53ABCB1PTGESYWHAH

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 2032/4885PLA2G2A 982/4885EDNRB 226/4885

“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.