SCHEMBL6050700

SCHEMBL6050700

CS(=O)(=O)c1ccccc1-c1cocc1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.55
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.40
MAOA P21397 1/20 0.40
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL6904881 0.85 PTGS2 (0.68) PTGS2ALOX5PTGS1KDM4EALDH1A1
SCHEMBL3239923 0.79 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL9395238 0.79 PTGS2 (0.65) PTGS2ALOX5PTGS1HSD11B1
SCHEMBL4860115 0.74 PTGS2 (0.57) PTGS2ALOX5PTGS1
SCHEMBL215130 0.72 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8386057 0.71 PTGS2 (0.65) PTGS2PTGS1ALDH1A1
SCHEMBL5831677 0.71 ALOX5AP (0.48) PTGS2ALOX5PTGS1KDM4EALDH1A1
SCHEMBL4198455 0.71 PTGS2 (0.62) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL9797523 0.71 HSD11B1 (0.57) PTGS2PTGS1ALDH1A1RAB9AHSD11B1
SCHEMBL8658514 0.71 PTGS2 (0.62) PTGS2PTGS1KDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents G.D. SEARLE & CO. (US) 2003-08-14 US claimed
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 claimed
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 claimed
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents TALLEY JOHN J (US) 2002-05-16 US claimed
JP-3137648-B2 2001-02-26 JP claimed
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 claimed
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 claimed
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-0764645-A1 Novel 3,4-diaryl furans and analogs thereof having use as anti-inflammatory agents G.D. SEARLE & CO. (US) 1997-03-26 EP disclosed
EP-0764644-A1 Use of medicaments containing 3,4-diaryl furans and analogs thereof for treating a gastrointestinal condition G.D. SEARLE & CO. (US) 1997-03-26 EP disclosed
EP-0759432-A1 Use of medicaments containing 3,4-diaryl furans and analogs thereof for treating a skin-related condition G.D. SEARLE & CO. (US) 1997-02-26 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 151/4885ALOX5 330/4885PTGS1 17/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 PTGS2 156/4885ALOX5 253/4885PTGS1 5/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 PTGS2 138/4885ALOX5 296/4885PTGS1 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.