SCHEMBL1331645

SCHEMBL1331645

CCS(=O)(=O)c1ccc(Oc2cc(Cl)ccc2OC(C)(C)C(=O)O)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.53
RORC P51449 3/20 0.42
PPARA Q07869 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
TTR P02766 1/20 0.39
CHRM1 P11229 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
SCHEMBL1332092 0.88 PTGDR2 (0.48) PTGDR2PPARAMEN1CYP1A2CYP3A4
SCHEMBL1332548 0.81 PTGDR2 (0.71) PTGDR2
SCHEMBL1332090 0.81 PTGDR2 (0.51) PTGDR2RORCPPARAMEN1CYP1A2
SCHEMBL1332617 0.80 PTGDR2 (0.50) PTGDR2MEN1MAPTKMT2ATTR
SCHEMBL3928430 0.80 PTGDR2 (0.50) PTGDR2MAPTTTR
SCHEMBL1333653 0.80 PTGDR2 (0.58) PTGDR2TTR
SCHEMBL28330663 0.80 PTGDR2 (0.58) PTGDR2TTR
SCHEMBL1333658 0.79 PTGDR2 (0.52) PTGDR2MAPTTTR
SCHEMBL1331643 0.79 PTGDR2 (0.54) PTGDR2PPARAPPARG
SCHEMBL27849129 0.77 PTGDR2 (0.51) PTGDR2TTRCHRM1

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 13/4885RORC 25/4885PPARA 430/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN PTGDR2 256/4885RORC 275/4885PPARA 104/4885

“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.