SCHEMBL3574571

SCHEMBL3574571

CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(C(C)(C)C)cc4)ccc32)cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.69
XDH P47989 3/20 0.42
PDK1 Q15118 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
LDHA P00338 1/20 0.34
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GCGR P47871 1/20 0.32

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
SCHEMBL3574704 0.85 PTGES (0.59) PTGESALDH1A1HPGDLMNAMAPT
SCHEMBL3578854 0.84 PTGES (0.53) PTGESALDH1A1HPGDNPSR1LMNA
SCHEMBL3569007 0.82 PTGES (0.88) PTGESALDH1A1HPGDLDHA
SCHEMBL3581438 0.82 PTGES (1.00) PTGESALDH1A1HPGDLDHA
SCHEMBL3569788 0.74 PTGES (0.71) PTGESALDH1A1LDHA
SCHEMBL3567316 0.74 PTGES (0.71) PTGESALDH1A1LDHAGCGR
SCHEMBL3574806 0.74 PTGES (0.85) PTGESALDH1A1HPGDLDHA
SCHEMBL3573984 0.74 PTGES (0.67) PTGESALDH1A1LDHA
SCHEMBL3570895 0.73 PTGES (0.83) PTGESALDH1A1LDHAGCGR
SCHEMBL27677007 0.73 PDK1 (0.38) PTGESXDHPDK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PTGES 3/4885XDH 130/4885PDK1 1275/4885

“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.