SCHEMBL6050719

SCHEMBL6050719

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.63
PTGS2 P35354 5/20 0.50
PTGS1 P23219 2/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
OXTR P30559 2/20 0.47
FYN P06241 3/20 0.44
MAP4K4 O95819 3/20 0.44
MINK1 Q8N4C8 2/20 0.44
TNIK Q9UKE5 2/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CYP2A6 P11509 1/20 0.43

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
SCHEMBL6050697 0.88 CA1 (0.64) KCNH2PTGS2PTGS1CA1CA2
SCHEMBL6050909 0.83 PTGS2 (0.65) KCNH2PTGS2PTGS1CA1CA2
SCHEMBL6050675 0.81 PTGS2 (0.68) PTGS2PTGS1FYNMAP4K4MINK1
SCHEMBL6050774 0.80 PTGS2 (0.48) PTGS2PTGS1FYNMAP4K4MINK1
SCHEMBL6050777 0.80 PTGS2 (0.55) KCNH2PTGS2PTGS1FYNMAP4K4
SCHEMBL6050751 0.79 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL2226479 0.77 KCNH2 (0.90) KCNH2PTGS2PTGS1FYNMAP4K4
SCHEMBL2224148 0.77 KCNH2 (1.00) KCNH2FYNMAP4K4MINK1TNIK
SCHEMBL1688213 0.77 KCNH2 (0.56) KCNH2PTGS2PTGS1CA1CA2
SCHEMBL6050679 0.74 PTGS2 (0.76) PTGS2PTGS1CA1CA2

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 9 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

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 KCNH2 3251/4885PTGS2 151/4885PTGS1 17/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 KCNH2 2952/4885PTGS2 156/4885PTGS1 5/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 KCNH2 3006/4885PTGS2 138/4885PTGS1 17/4885

“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.