SCHEMBL3582146

SCHEMBL3582146

CCOc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.56
▸ NTRK1 P04629 4/20 0.49
▸ CACNA2D1 P54289 1/20 0.46
▸ PTGER4 P35408 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GCGR P47871 1/20 0.42
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ TPX2 Q9ULW0 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LDHA P00338 1/20 0.39
▸ SERPINE1 P05121 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3568117 0.89 PTGES (0.58) PTGESNTRK1PTGER4GCGRPPARD
SCHEMBL3584093 0.88 PTGES (0.59) PTGESNTRK1GCGRKDM4EAURKA
SCHEMBL3578399 0.86 PTGES (0.74) PTGESNTRK1GCGRAURKATPX2
SCHEMBL3575240 0.85 PTGES (0.76) PTGESNTRK1GCGRAURKATPX2
SCHEMBL3574685 0.84 PTGES (0.48) PTGESNTRK1PTGER4GCGR
SCHEMBL13802518 0.78 SRD5A2 (0.60) PTGESNTRK1MEN1KMT2AKDM4E
SCHEMBL13802520 0.77 ALDH1A1 (0.67) PTGESNTRK1AURKATPX2ALDH1A1
SCHEMBL3567571 0.76 PTGES (0.71) PTGESGCGRKDM4ELDHASERPINE1
SCHEMBL3574806 0.75 PTGES (0.85) PTGESKMT2AKDM4ELDHAALDH1A1
SCHEMBL3570895 0.75 PTGES (0.83) PTGESGCGRLDHAPPARDALDH1A1

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 3/4885NTRK1 3082/4885CACNA2D1 4758/4885

“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.

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