SCHEMBL2920798

SCHEMBL2920798

CO/C=C1\C(=O)OC(=O)c2ccc(S(C)(=O)=O)cc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 10/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2920800 1.00 SMN1; SMN2 (0.36) SMN1; SMN2PTGS2PTGDR2ALDH1A1ALOX15
SCHEMBL18503876 0.81 ALDH1A1 (0.47) SMN1; SMN2PTGS2PTGDR2ALDH1A1ALOX15
SCHEMBL3630631 0.78 S100A4 (0.39) SMN1; SMN2ALDH1A1ALOX15TDP1
SCHEMBL3630635 0.78 S100A4 (0.39) SMN1; SMN2ALDH1A1ALOX15TDP1
SCHEMBL2916710 0.78 ALOX15 (0.35) ALDH1A1ALOX15TDP1
SCHEMBL2916714 0.78 ALOX15 (0.35) ALDH1A1ALOX15TDP1
SCHEMBL19864932 0.72 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1ALOX15TDP1
SCHEMBL14070087 0.72 CYP3A4 (0.41)
SCHEMBL18503873 0.67 PTGS2 (0.49) PTGS2ALDH1A1
SCHEMBL29357601 0.67 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478624-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-08 EP disclosed
EP-1478624-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-08 EP disclosed
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 US disclosed
EP-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 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 (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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 SMN1; SMN2 4529/4885PTGS2 695/4885PTGDR2 341/4885

“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.