SCHEMBL2113785

SCHEMBL2113785

CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2O)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.65
RORC P51449 2/20 0.43
MAPT P10636 1/20 0.40
DDR1 Q08345 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 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
SCHEMBL2111861 0.87 PTGDR2 (0.63) PTGDR2
SCHEMBL2112948 0.86 PTGDR2 (0.66) PTGDR2MAPT
SCHEMBL2110294 0.82 PTGDR2 (0.62) PTGDR2RORCMAPTALDH1A1POLB
SCHEMBL1690228 0.79 PTGDR2 (1.00) PTGDR2
SCHEMBL16199785 0.79 PTGDR2 (0.70) PTGDR2RORC
SCHEMBL1332070 0.79 PTGDR2 (0.48) PTGDR2RORCMAPTDDR1ALDH1A1
SCHEMBL1753775 0.78 PTGDR2 (1.00) PTGDR2
SCHEMBL2397432 0.75 ALDH1A1 (0.51) PTGDR2MAPTALDH1A1POLB
SCHEMBL2114449 0.75 PTGDR2 (0.47) PTGDR2MAPT
SCHEMBL29159274 0.75 TDP1 (0.49) MAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885RORC 417/4885MAPT 1655/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885RORC 417/4885MAPT 1655/4885

“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.