SCHEMBL3578255

SCHEMBL3578255

CC(C)(C)c1ccc(-c2ccc3c(c2)cc(C(=O)O)n3-c2ccc(OC3CCCC3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.69
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
CCR9 P51686 1/20 0.38
APP P05067 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
LDHA P00338 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPY4R P50391 1/20 0.37
NPY5R Q15761 1/20 0.37
ACACB O00763 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL3576474 0.96 PTGES (0.71) PTGESCCR9LDHAACACBALDH1A1
SCHEMBL4228938 0.91 PTGES (0.57) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL3001562 0.88 PTGES (0.54) PTGESLMNAMAPTACACBHRH3
SCHEMBL4228521 0.88 PTGES (0.54) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL4228535 0.87 PTGES (0.53) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL4218509 0.86 PTGES (0.52) PTGESLMNAMAPTACACB
SCHEMBL3581290 0.86 PTGES (0.56) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL4228950 0.86 PTGES (0.52) PTGESLMNAMAPTGCGR
SCHEMBL4223283 0.86 PTGES (0.51) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL4224586 0.85 PTGES (0.51) PTGESLMNAMAPTACACBALDH1A1

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
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
US-20090042949-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-12 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 (2 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 3/4885PDE4A 1851/4885PDE4B 2273/4885
US-20090042949-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG PTGES 28/4885PDE4A 2539/4885PDE4B 3721/4885

“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.