SCHEMBL4697691

SCHEMBL4697691

CC(C)Oc1ccc(-c2ccc3c(c2)c(NS(C)(=O)=O)c(C(=O)O)n3-c2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.48
EDNRA P25101 6/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
MCL1 Q07820 5/20 0.38
BCL2 P10415 3/20 0.37
MDM2 Q00987 3/20 0.37
EDNRB P24530 1/20 0.37
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL4702525 0.88 PTGES (0.40) PTGESMCL1BCL2KMT2AEPHX2
SCHEMBL4699422 0.85 PTGES (0.49) PTGESEDNRARXRARXRBMCL1
SCHEMBL4917265 0.83 PPARG (0.46) PTGES
SCHEMBL3578280 0.81 PTGES (0.53) PTGESEDNRARXRARXRBMCL1
SCHEMBL4699431 0.78 PTGES (0.58) PTGESNR1H4
SCHEMBL4702217 0.78 PTGES (0.43) PTGESEDNRARXRARXRBMCL1
SCHEMBL4025672 0.77 PTGES (0.55) PTGESEDNRARXRARXRBMCL1
SCHEMBL4027503 0.76 PTGES (0.71) PTGESEDNRAEDNRB
SCHEMBL3013326 0.75 PTGES (0.62) PTGES
SCHEMBL4701667 0.75 PTGES (0.46) PTGESMCL1BCL2MDM2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778633-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-12-03 EP disclosed
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-08-07 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-20080188473-A1 Indoles Useful in the Treatment of Inflammation IDO1, PTGS1, PTGER1 PTGES 4/4885EDNRA 71/4885RXRA 717/4885

“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.