SCHEMBL6091492

SCHEMBL6091492

CCCCC(=O)Nc1c(C(=O)O)n(Cc2cccc(Cl)c2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
PTGES O14684 1/20 0.42
TP53 P04637 1/20 0.42
PLA2G2A P14555 3/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNQ4 P56696 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
SERPINE1 P05121 3/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PPARG P37231 1/20 0.38
GSK3B P49841 1/20 0.38
ICMT O60725 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGES2 Q9H7Z7 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
SCHEMBL6089609 0.93 PTGES (0.42) THRBPTGESTP53PLA2G2AKCNQ3
SCHEMBL6092174 0.88 THRB (0.44) THRBPTGESTP53PLA2G2ASERPINE1
SCHEMBL6089976 0.86 PTGES (0.44) PTGESPLA2G2AGRIN1GRIN2BPPARG
SCHEMBL6089685 0.82 GRIN1 (0.44) THRBPTGESTP53PLA2G2AGRIN1
SCHEMBL6091691 0.79 TP53 (0.44) THRBPTGESTP53PLA2G2AGSK3B
SCHEMBL6091652 0.79 SERPINE1 (0.54) PTGESPLA2G2ASERPINE1PPARGPTGES2
SCHEMBL6091451 0.79 SLC2A1 (0.44) PTGESPLA2G2AGRIN1GRIN2BPPARG
SCHEMBL6090836 0.78 PPARG (0.47) PTGESSERPINE1PPARGMAPTMEN1
SCHEMBL6091172 0.77 TP53 (0.41) THRBPTGESTP53PPARGGSK3B
SCHEMBL5747009 0.77 THRB (0.45) THRBTP53SERPINE1PPARGGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160879-A1 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-07-20 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-20060160879-A1 Indoles useful in the treatment of inflammation IDO1, PTGS1, IDO2 THRB 1146/4885PTGES 4/4885TP53 2032/4885

“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.