SCHEMBL4699422

SCHEMBL4699422

CC(=O)Nc1c(C(=O)O)n(-c2ccc(OC(C)C)cc2)c2ccc(-c3ccc(OC(C)C)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.49
EDNRA P25101 6/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
MCL1 Q07820 5/20 0.39
BCL2 P10415 4/20 0.39
MDM2 Q00987 4/20 0.39
EDNRB P24530 1/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 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
SCHEMBL4698539 0.87 PTGES (0.41) PTGESKMT2AALDH1A1TP53POLB
SCHEMBL4697691 0.85 PTGES (0.48) PTGESEDNRARXRARXRBMCL1
SCHEMBL4698138 0.83 PTGES (0.44) PTGES
SCHEMBL4702217 0.83 PTGES (0.43) PTGESEDNRARXRARXRBMCL1
SCHEMBL4923569 0.83 PPARG (0.47) PTGES
SCHEMBL4914621 0.83 PPARG (0.47) PTGES
SCHEMBL3578280 0.82 PTGES (0.53) PTGESEDNRARXRARXRBMCL1
SCHEMBL3574863 0.81 PTGES (0.52) PTGESACACBACACAMCL1BCL2
SCHEMBL4923088 0.81 EDNRA (0.52) EDNRAEDNRB
SCHEMBL4699431 0.81 PTGES (0.58) PTGES

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 4 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
EP-1778633-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123674-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO 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 71/4885ACACB 3096/4885

“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.