SCHEMBL1244083

SCHEMBL1244083

O=C(O)COc1ccc(SSc2ccc(OCC(=O)O)c(Br)c2)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.64
PTGDR2 Q9Y5Y4 7/20 0.50
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARD Q03181 3/20 0.45
PTPN1 P18031 1/20 0.44
PTGDR Q13258 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5502944 0.83 PKM (0.68) PKMPTGDR2TDP1TSHRPOLB
SCHEMBL1615073 0.81 PKM (0.70) PKMPTGDR2TDP1TSHRPOLB
SCHEMBL3534775 0.80 TDP1 (0.68) PTGDR2TDP1TSHRPPARDPTGDR
SCHEMBL14307414 0.79 PKM (0.51) PKMPTGDR2PPARD
SCHEMBL2112042 0.78 PKM (1.00) PKMPTGDR2TDP1POLBPTGDR
SCHEMBL3714744 0.78 PKM (0.66) PKMPTGDR2TDP1TSHR
SCHEMBL1369311 0.78 TDP1 (0.70) PKMPTGDR2TDP1TSHRPTGDR
SCHEMBL4975454 0.77 PKM (0.64) PKMPTGDR2TSHRPOLBPPARD
SCHEMBL3269309 0.76 PPARD (0.79) PKMPTGDR2TDP1TSHRPOLB
SCHEMBL3708100 0.75 PKM (0.62) PKMPTGDR2PPARDPTPN1MAPT

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-20110039841-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2011-02-17 US disclosed
EP-1763511-B1 PHENOXYACETIC ACID DERIVATIVES AS PPAR AGONISTS HIGH POINT PHARMACEUTICALS LLC (US) 2010-07-28 EP disclosed
EP-1763511-A1 PHENOXYACETIC ACID DERIVATIVES AS PPAR AGONISTS NOVO NORDISK A/S (DK) 2007-03-21 EP disclosed
WO-2005105735-A1 PHENOXYACETIC ACID DERIVATIVES AS PPAR AGONISTS NOVO NORDISK A/S (DK) 2005-11-10 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-20110039841-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA PKM 589/4885PTGDR2 70/4885TDP1 4249/4885

“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.