SCHEMBL1332071

SCHEMBL1332071

CCS(=O)(=O)c1ccc(C(O)c2cc(C(F)(F)F)ccc2OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.44
PTGDR2 Q9Y5Y4 9/20 0.44
HSD11B1 P28845 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
SLC6A9 P48067 1/20 0.42
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
AR P10275 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
SCHEMBL1332605 0.85 PTGDR2 (0.60) PTGDR2
SCHEMBL5983726 0.82 PTGDR2 (0.46) PTGDR2HSD11B1
SCHEMBL1331604 0.78 TOP2A (0.44) PTGDR2HSD11B1
SCHEMBL2579113 0.78 PPIA (0.46) MRGPRX4RXRARXRBRXRGHTR2C
SCHEMBL2111567 0.75 PTGDR2 (0.72) PTGDR2KEAP1NFE2L2RXRARXRB
SCHEMBL24781012 0.75 HTR2C (0.53) MRGPRX4RXRARXRBRXRGHTR2C
SCHEMBL4153374 0.73 PTGDR2 (0.54) PTGDR2
SCHEMBL2575323 0.73 PTGER1 (0.48)
SCHEMBL7365243 0.73 NPC1 (0.47) HTR2CSLC6A4HTR2B
SCHEMBL2580807 0.72 PPIA (0.47) MRGPRX4RXRARXRBRXRGSLC6A9

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 MRGPRX4 49/4885PTGDR2 13/4885HSD11B1 1266/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN MRGPRX4 1800/4885PTGDR2 256/4885HSD11B1 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.