SCHEMBL6050810

SCHEMBL6050810

CCOc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)coc2Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
PTGS1 P23219 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD1 P21728 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 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
SCHEMBL6050712 0.89 CA2 (0.58) PTGS2CA12CA1CA2CA7
SCHEMBL6050714 0.86 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6050734 0.81 PTGS2 (0.58) PTGS2
SCHEMBL6050746 0.81 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6050706 0.80 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6050726 0.80 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6050912 0.80 PTGS2 (0.50) PTGS2CA12CA1CA2CA7
SCHEMBL14569174 0.78 CA12 (0.61) PTGS2CA12CA1CA2CA7
SCHEMBL6050685 0.78 PTGS2 (0.67) PTGS2CA12CA1CA2CA7
SCHEMBL6746191 0.76 CA12 (0.68) PTGS2CA12CA1CA2CA7

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 151/4885CA12 4657/4885CA1 2849/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 PTGS2 156/4885CA12 4709/4885CA1 2316/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 PTGS2 138/4885CA12 4614/4885CA1 2707/4885

“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.