SCHEMBL4884912

SCHEMBL4884912

[2H]c1cccc(-c2ccccc2)c1S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.53
L3MBTL1 Q9Y468 1/20 0.43
PTGS1 P23219 1/20 0.41
ACLY P53396 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
MAOA P21397 1/20 0.39
LOX P28300 1/20 0.39
AKR1B1 P15121 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37

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
SCHEMBL29415408 0.84 PTGS2 (0.61) PTGS2L3MBTL1PTGS1ACLYMAOA
SCHEMBL937206 0.84 PTGS2 (0.61) PTGS2L3MBTL1PTGS1ACLYMAOA
SCHEMBL2447766 0.82 PTGS2 (0.64) PTGS2L3MBTL1PTGS1ACLYLOXL2
Hydrochloric Acid SCHEMBL7352630 0.82 PTGS2 (0.59) PTGS2L3MBTL1PTGS1ACLYLOXL2
SCHEMBL8658514 0.80 PTGS2 (0.62) PTGS2PTGS1ACLYMAOALOX
SCHEMBL4198455 0.76 PTGS2 (0.62) PTGS2L3MBTL1PTGS1ACLY
SCHEMBL29700169 0.76 PTGS2 (0.52) PTGS2L3MBTL1PTGS1ACLY
SCHEMBL8770199 0.73 PTGS2 (0.53) PTGS2L3MBTL1PTGS1ACLY
SCHEMBL4629803 0.72 PTGS2 (0.47) PTGS2L3MBTL1AKR1B1EDNRBEDNRA
SCHEMBL9538025 0.72 PTGS2 (0.52) PTGS2L3MBTL1PTGS1ACLYLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 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 (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-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT PTGS2 2935/4885L3MBTL1 4579/4885PTGS1 2351/4885

“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.