SCHEMBL883879

SCHEMBL883879

O=C(O)Cc1ccc(Cl)c(Oc2ccc(S(=O)(=O)Cc3ccc(F)cc3)cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.42
PTGDR Q13258 5/20 0.41
CA5A P35218 1/20 0.38
CYP1A2 P05177 1/20 0.37
SCN9A Q15858 1/20 0.37
NR3C1 P04150 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL883853 0.88 PTGDR2 (0.49) PTGDR2PTGDRCA5ACYP1A2
SCHEMBL2066101 0.84 PTGDR2 (0.45) PTGDR2PTGDRCA5ACYP1A2ALDH1A1
SCHEMBL10121181 0.83 PTGDR2 (0.46) PTGDR2PTGDRNR3C1
SCHEMBL2065744 0.83 CYP1A2 (0.43) PTGDR2PTGDRCA5ACYP1A2
SCHEMBL883829 0.78 PTGDR2 (0.51) PTGDR2PTGDRSCN9ANR3C1
SCHEMBL883838 0.78 NR3C1 (0.42) PTGDR2NR3C1
SCHEMBL2066559 0.78 PTGDR2 (0.48) PTGDR2PTGDRCA5AALDH1A1CA2
SCHEMBL883831 0.77 EPAS1 (0.47) PTGDR2PTGDRNR3C1
SCHEMBL2065216 0.76 PTGDR2 (0.49) PTGDR2PTGDR
SCHEMBL2066482 0.75 PTGDR2 (0.49) PTGDR2PTGDRCA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US claimed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US claimed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP claimed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO claimed
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 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 (1 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-20090192163-A1 Novel Compounds PAH, PC, DDC PTGDR2 1000/4885PTGDR 859/4885CA5A 62/4885

“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.