SCHEMBL6050880

SCHEMBL6050880

COc1ccc(-c2cscc2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.74
PTGS1 P23219 7/20 0.74
MAPKAPK2 P49137 1/20 0.54
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA2 P00918 6/20 0.50
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA9 Q16790 3/20 0.50
CA5A P35218 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49

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
SCHEMBL6050623 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6849995 0.84 PTGS2 (0.72) PTGS2PTGS1CA2CA12CA1
SCHEMBL6728058 0.83 PTGS2 (0.62) PTGS2PTGS1MAPKAPK2CA2CA12
SCHEMBL6050850 0.83 CA2 (0.71) PTGS2PTGS1MEN1MAPTKMT2A
SCHEMBL113508 0.82 PTGS2 (0.78) PTGS2PTGS1CA2CA12CA1
SCHEMBL6050667 0.82 PTGS2 (0.70) PTGS2PTGS1MAPTKMT2ASMN1; SMN2
SCHEMBL6050693 0.81 PTGS2 (0.72) PTGS2PTGS1CA2CA12CA1
SCHEMBL6050764 0.81 PTGS2 (0.59) PTGS2PTGS1MAPKAPK2CA2CA12
SCHEMBL9492457 0.80 PTGS2 (0.75) PTGS2PTGS1CA2CA12CA1
Iodide SCHEMBL28542044 0.80 PTGS2 (0.75) PTGS2PTGS1CA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030153-B2 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents G.D. SEARLE & CO. (US) 2006-04-18 US disclosed
US-7012094-B1 Substituted furans and furanones for the treatment of inflammation G.D. SEARLE, LLC (US) 2006-03-14 US disclosed
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents G.D. SEARLE & CO. (US) 2003-08-14 US disclosed
US-6599934-B1 Effective and safe compounds having antiinflammatory and/or analgesic activity without erosion of the stomach G.D. SEARLE & CO. 2003-07-29 US disclosed
US-20030013744-A1 3,4-diaryl thiophenes and analogs thereof having use as anti-inflammatory agents G.D. SEARLE & CO. (US) 2003-01-16 US disclosed
US-6492413-B2 FOR USE IN THERAPY OF PAIN, ARTHRITIS, FEVER G.D. SEARLE & CO. 2002-12-10 US disclosed
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents TALLEY JOHN J (US) 2002-05-16 US disclosed
US-6274590-B1 ADMINISTERING 3,4-DIARYLTHIOPHENE DERIVATIVE TO TREAT ECZEMA, BURNS, PSORIASIS, AND DERMATITIS G. D. SEARLE & CO. 2001-08-14 US disclosed
EP-0679157-B1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS SEARLE & CO (US) 1997-11-19 EP disclosed
EP-0679157-A1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1995-11-02 EP disclosed
WO-1994015932-A1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1994-07-21 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 (3 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-20030013744-A1 3,4-diaryl thiophenes and analogs thereof having use as anti-inflammatory agents NR3C1, FPR1, IL1B PTGS2 151/4885PTGS1 17/4885MAPKAPK2 3714/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 PTGS2 156/4885PTGS1 5/4885MAPKAPK2 3737/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 PTGS2 138/4885PTGS1 17/4885MAPKAPK2 3777/4885

“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.