SCHEMBL3584093

SCHEMBL3584093

COc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.59
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NTRK1 P04629 2/20 0.45
AURKA O14965 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
CCR2 P41597 1/20 0.42
LDHA P00338 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 1/20 0.41
MCHR1 Q99705 1/20 0.40
SERPINE1 P05121 1/20 0.40
GCGR P47871 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL3578399 0.89 PTGES (0.74) PTGESALDH1A1NTRK1AURKATPX2
SCHEMBL3575240 0.88 PTGES (0.76) PTGESALDH1A1NTRK1AURKATPX2
SCHEMBL3582146 0.88 PTGES (0.56) PTGESALDH1A1KDM4ENTRK1AURKA
SCHEMBL3568117 0.86 PTGES (0.58) PTGESNTRK1PPARGGCGR
SCHEMBL3574685 0.81 PTGES (0.48) PTGESNTRK1GCGR
SCHEMBL13802520 0.80 ALDH1A1 (0.67) PTGESALDH1A1NTRK1AURKATPX2
SCHEMBL3574806 0.78 PTGES (0.85) PTGESALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3570895 0.78 PTGES (0.83) PTGESALDH1A1LDHATSHRPPARG
SCHEMBL4926021 0.78 PTGES (0.61) PTGESALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3567571 0.77 PTGES (0.71) PTGESALDH1A1KDM4EHPGDSMN1; SMN2

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 2 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-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 3/4885ALDH1A1 475/4885KDM4E 2368/4885

“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.