SCHEMBL1331604

SCHEMBL1331604

CCS(=O)(=O)c1ccc(C(O)c2cc(C(F)(F)F)ccc2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.44
TOP2B Q02880 1/20 0.44
HSD11B1 P28845 1/20 0.44
RORC P51449 9/20 0.41
RORA P35398 3/20 0.41
PTGDR2 Q9Y5Y4 8/20 0.40
PDE2A O00408 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
SCHEMBL5983726 0.82 PTGDR2 (0.46) HSD11B1RORCRORAPTGDR2
SCHEMBL1332605 0.79 PTGDR2 (0.60) PTGDR2
SCHEMBL1332071 0.78 MRGPRX4 (0.44) HSD11B1PTGDR2
SCHEMBL1333322 0.74 RORC (0.46) RORCPTGDR2
SCHEMBL12013127 0.73 RORC (0.54) HSD11B1RORC
SCHEMBL2112948 0.70 PTGDR2 (0.66) PTGDR2
SCHEMBL4910562 0.70 RORC (0.72) RORCPDE2A
SCHEMBL2113785 0.69 PTGDR2 (0.65) RORCPTGDR2
SCHEMBL4905932 0.67 PDE2A (0.49) RORCPDE2A
SCHEMBL1332070 0.67 PTGDR2 (0.48) RORCPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394986-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (GB) 2013-03-12 US disclosed
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
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 US disclosed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 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 (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 TOP2A 2348/4885TOP2B 3453/4885HSD11B1 1266/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN TOP2A 3026/4885TOP2B 4205/4885HSD11B1 1970/4885

“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.