SCHEMBL7104819

SCHEMBL7104819

CCc1cc(S(C)(=O)=O)ccc1-c1ccc(-c2cccnc2)c(=O)o1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.49
PTGS1 P23219 4/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LOX P28300 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
SCHEMBL7601925 0.81 MAOA (0.42) MAOAMAOB
SCHEMBL8423019 0.77 PTGS2 (0.63) PTGS2PTGS1LOX
SCHEMBL17205245 0.70 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL4940447 0.70 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL28111372 0.69 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8487954 0.67 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL4941143 0.67 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5709000 0.67 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7108267 0.67 PTGS2 (0.46) PTGS2PTGS1LOX
SCHEMBL6050679 0.67 PTGS2 (0.76) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299372-A1 PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 2003-04-09 EP disclosed
US-6465509-B2 FOR THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT MERCK FROSST CANADA & CO. (CA) 2002-10-15 US disclosed
US-20020058690-A1 For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent MERCK FROSST CANADA LTD. (CA) 2002-05-16 US disclosed
WO-2002002547-A1 PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 2002-01-10 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-20020058690-A1 For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent PTGS1, PTGES2, PTGS2 PTGS2 3/4885PTGS1 1/4885MAOA 1167/4885

“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.