SCHEMBL1333322

SCHEMBL1333322

CCS(=O)(=O)c1ccc(Cc2cc(C(F)(F)F)ccc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.46
PTGDR2 Q9Y5Y4 5/20 0.44
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
PSIP1 O75475 1/20 0.41

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
SCHEMBL1333671 0.78 PTGDR2 (0.62) PTGDR2
SCHEMBL9861515 0.76 MEN1 (0.57) THRATHRBFFAR4
SCHEMBL178283 0.76 ESR1 (0.69) ESR1ESR2FFAR4
SCHEMBL12013127 0.75 RORC (0.54) RORCPSIP1
SCHEMBL1331604 0.74 TOP2A (0.44) RORCPTGDR2
SCHEMBL2871067 0.73 HSP90AA1 (0.39) RORCPSIP1
SCHEMBL2112948 0.72 PTGDR2 (0.66) PTGDR2
SCHEMBL27924602 0.71 ALDH1A1 (0.48) THRATHRBFFAR4
SCHEMBL2113785 0.71 PTGDR2 (0.65) RORCPTGDR2
SCHEMBL1400639 0.70 ESR1 (0.51) ESR1ESR2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1845894-B phenoxyacetic acid derivatives ASTRAZENECA AB 2010-07-07 CN claimed
CN-1845894-A phenoxyacetic acid derivatives ASTRAZENECA AB (SE) 2006-10-11 CN claimed
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
CN-1845894-B phenoxyacetic acid derivatives ASTRAZENECA AB 2010-07-07 CN 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
CN-1845894-A phenoxyacetic acid derivatives ASTRAZENECA AB (SE) 2006-10-11 CN 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 RORC 25/4885PTGDR2 13/4885THRA 341/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN RORC 275/4885PTGDR2 256/4885THRA 659/4885

“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.