SCHEMBL6050697

SCHEMBL6050697

COc1ccc(-c2cocc2-c2ccc(S(N)(=O)=O)cc2)cn1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.64
CA2 P00918 5/20 0.64
KCNH2 Q12809 4/20 0.52
PTGS2 P35354 3/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
FYN P06241 1/20 0.44
S1PR1 P21453 1/20 0.44
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
CYP2A6 P11509 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.42
CA14 Q9ULX7 1/20 0.41
PTGS1 P23219 1/20 0.41
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL6050719 0.88 KCNH2 (0.63) CA1CA2KCNH2PTGS2MKNK1
SCHEMBL1422276 0.84 CA2 (0.72) CA1CA2KCNH2PTGS2MKNK1
SCHEMBL6050725 0.84 CA1 (0.61) CA1CA2KCNH2PTGS2MKNK1
SCHEMBL6050790 0.82 PTGS2 (0.68) CA1CA2PTGS2CA12CA9
SCHEMBL6050764 0.80 PTGS2 (0.59) CA1CA2PTGS2CA12CA9
SCHEMBL2224383 0.79 KCNH2 (0.81) CA1CA2KCNH2FYN
SCHEMBL6050642 0.79 PTGS2 (0.52) CA1CA2PTGS2S1PR1CA12
SCHEMBL6050696 0.79 PTGS2 (0.53) CA1CA2PTGS2CA12CA9
SCHEMBL958258 0.78 CA1 (0.57) CA1CA2KCNH2PTGS2MKNK1
SCHEMBL1422284 0.77 CA1 (0.61) CA1CA2KCNH2PTGS2MKNK1

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 CA1 2849/4885CA2 2179/4885KCNH2 3251/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 CA1 2316/4885CA2 1353/4885KCNH2 2952/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 CA1 2707/4885CA2 2064/4885KCNH2 3006/4885

“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.