SCHEMBL6831945

SCHEMBL6831945

Cc1ccc(Sc2c(C#N)sc3cc(S(C)(=O)=O)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.47
PTGS1 P23219 4/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.38
CYP2C9 P11712 2/20 0.38
AKR1B1 P15121 1/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL6830324 0.89 PTGS2 (0.46) PTGS2PTGS1PTGDR2MEN1KMT2A
SCHEMBL6830307 0.89 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6829777 0.89 PTGS2 (0.45) PTGS2PTGS1PTGDR2KMT2ALMNA
SCHEMBL6830914 0.87 PTGS2 (0.55) PTGS2PTGS1MEN1ALDH1A1KMT2A
SCHEMBL6829923 0.80 PTGS2 (0.47) PTGS2PTGS1MEN1ALDH1A1KMT2A
SCHEMBL6829774 0.78 PTGS2 (0.61) PTGS2PTGS1ALDH1A1KMT2AHPGD
SCHEMBL6827093 0.78 PTGS2 (0.47) PTGS2PTGS1MEN1KMT2ARXFP1
SCHEMBL6827195 0.77 PTGS2 (0.61) PTGS2PTGS1PTGDR2
SCHEMBL6827048 0.77 PTGS2 (0.48) PTGS2PTGS1PTGDR2MEN1KMT2A
SCHEMBL6827028 0.76 PTGS2 (0.44) PTGS2PTGS1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347963-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-6433005-B1 SELECTIVE COX II INHIBITOR SYNTEX (U.S.A.) LLC 2002-08-13 US disclosed
US-20020107280-A1 NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-08-08 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-20020107280-A1 NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS SULT1E1, SULT2A1, SULT1A1 PTGS2 6/4885PTGS1 8/4885PTGDR2 278/4885

“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.