SCHEMBL1753418

SCHEMBL1753418

CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2O[C@@H](C)C(=O)O)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.76
TSHR P16473 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
RORC P51449 2/20 0.47
PTGDR Q13258 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1753451 0.88 PTGDR2 (0.66) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL1753775 0.86 PTGDR2 (1.00) PTGDR2
SCHEMBL1753537 0.86 PTGDR2 (0.67) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL1753455 0.85 PTGDR2 (0.57) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL1690221 0.85 PTGDR2 (0.57) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL16199760 0.85 PTGDR2 (0.87) PTGDR2RORC
SCHEMBL1333653 0.84 PTGDR2 (0.58) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL28330663 0.84 PTGDR2 (0.58) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL1690330 0.81 PTGDR2 (1.00) PTGDR2TSHRPTGDR
SCHEMBL1332055 0.81 PTGDR2 (0.55) PTGDR2TSHRHTR2AHTR2CHTR2B

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 9 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 claimed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US claimed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US claimed
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-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-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

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 438/4885TSHR 2760/4885HTR2A 207/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885TSHR 2760/4885HTR2A 207/4885

“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.