SCHEMBL883835

SCHEMBL883835

CN(C)S(=O)(=O)c1ccc(Oc2cc(CC(=O)O)ccc2Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.46
PTGDR Q13258 4/20 0.46
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CA5A P35218 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CA2 P00918 1/20 0.42
VCAM1 P19320 1/20 0.40
LMNA P02545 1/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
CHRM1 P11229 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL586644 0.87 PTGDR2 (0.48) PTGDR2PTGDRCA5AALDH1A1CA2
SCHEMBL4639157 0.86 PTGDR2 (0.47) PTGDR2PTGDRCA5AALDH1A1CA2
SCHEMBL2066559 0.86 PTGDR2 (0.48) PTGDR2PTGDRCA5AALDH1A1CA2
Water SCHEMBL4639155 0.85 PTGDR2 (0.46) PTGDR2PTGDRCA5AALDH1A1CA2
SCHEMBL2066101 0.77 PTGDR2 (0.45) PTGDR2PTGDRCA5AALDH1A1LMNA
SCHEMBL883853 0.76 PTGDR2 (0.49) PTGDR2PTGDRCA5A
SCHEMBL2066482 0.76 PTGDR2 (0.49) PTGDR2PTGDRCA5ACHRM1
SCHEMBL2065275 0.76 SCN9A (0.46) PTGDR2PTGDRCA5AALDH1A1CA2
SCHEMBL2066841 0.74 PTGDR2 (0.46) PTGDR2PTGDRCA5ALMNA
SCHEMBL883929 0.74 EPAS1 (0.50) 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 859/4885NPC1 588/4885

“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.