SCHEMBL3579604

SCHEMBL3579604

CC(C)(C)c1ccc(-c2ccc3c(c2)cc(C(=O)O)n3-c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.63
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
P2RY14 Q15391 10/20 0.40
LDHA P00338 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ADRB3 P13945 3/20 0.38
ADRA2C P18825 2/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 2/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1E P28566 1/20 0.38
TSPO P30536 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR5A P47898 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3578255 0.84 PTGES (0.69) PTGESLDHAALDH1A1TSHRGCGR
SCHEMBL3571592 0.83 PTGES (0.68) PTGESLDHAALDH1A1TSHRDHODH
SCHEMBL3576474 0.82 PTGES (0.71) PTGESLDHAALDH1A1TSHRKCNH2
SCHEMBL3569788 0.82 PTGES (0.71) PTGESP2RY14LDHAALDH1A1TSHR
SCHEMBL3567316 0.82 PTGES (0.71) PTGESLDHAALDH1A1TSHRGCGR
SCHEMBL3573984 0.79 PTGES (0.67) PTGESLDHAALDH1A1TSHRNR1H4
SCHEMBL3581290 0.78 PTGES (0.56) PTGESLDHAKCNH2GCGR
SCHEMBL3577508 0.78 PTGES (0.66) PTGESLDHAALDH1A1TSHRGCGR
SCHEMBL3581438 0.77 PTGES (1.00) PTGESLDHAALDH1A1TSHRNR1H4
SCHEMBL3584722 0.77 PTGES (0.65) PTGESCYP3A4LDHAALDH1A1TSHR

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 5 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
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123673-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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PTGES 3/4885CYP3A4 75/4885CYP2C9 131/4885

“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.