SCHEMBL1333478

SCHEMBL1333478

CC(C)(Oc1ccc(Cl)cc1Sc1ccc(S(C)(=O)=O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.45
PPARA Q07869 4/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARD Q03181 3/20 0.39
FABP2 P12104 1/20 0.38
PPARG P37231 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
AVPR2 P30518 1/20 0.37
GPR27 Q9NS67 1/20 0.37
ACLY P53396 1/20 0.37

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
SCHEMBL1333682 0.86 PTGDR2 (0.46) PTGDR2PPARAMEN1CYP1A2CYP3A4
SCHEMBL2281930 0.82 PTGDR2 (0.40) PTGDR2PPARAMAPTPPARGAVPR2
SCHEMBL1331640 0.80 PTGDR2 (0.60) PTGDR2MAPT
SCHEMBL2278600 0.80 PPARA (0.43) PTGDR2PPARAMEN1CYP1A2CYP3A4
SCHEMBL1333649 0.79 TSHR (0.52) PTGDR2
SCHEMBL1331691 0.79 TSHR (0.52) PTGDR2
SCHEMBL1331693 0.79 TSHR (0.52) PTGDR2
SCHEMBL2282240 0.77 SLC6A9 (0.37) PTGDR2AVPR2GPR27
SCHEMBL1333476 0.76 PTGDR2 (0.48) PTGDR2PPARAPPARDPPARG
SCHEMBL3938428 0.76 PTGDR2 (0.40) PTGDR2AVPR2GPR27

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US disclosed
US-8003703-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 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 (2 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-20060293352-A1 Phenoxiacetic acid derivatives HRH2, HRH1, HCAR2 PTGDR2 13/4885PPARA 430/4885MEN1 3996/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN PTGDR2 256/4885PPARA 104/4885MEN1 3563/4885

“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.