SCHEMBL6050720

SCHEMBL6050720

NS(=O)(=O)c1ccc(-c2c(Br)oc(Br)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
PTGS2 P35354 16/20 0.56
PTGS1 P23219 11/20 0.56
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
SOS1 Q07889 1/20 0.50

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
SCHEMBL6050687 0.85 CA2 (0.63) MAOAMAOBPTGS2PTGS1CA12
SCHEMBL6050889 0.83 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6050769 0.83 CA2 (0.60) MAOAMAOBPTGS2PTGS1CA12
SCHEMBL6050748 0.83 CA2 (0.60) PTGS2PTGS1CA12CA2CA9
SCHEMBL6050833 0.83 MAOA (0.63) MAOAMAOBPTGS2PTGS1CA12
SCHEMBL6050632 0.82 MAOA (0.44) MAOAMAOBPTGS2PTGS1CA12
SCHEMBL6050805 0.80 PTGS2 (0.56) MAOAMAOBPTGS2PTGS1CA12
SCHEMBL6050704 0.80 PTGS2 (0.71) MAOAMAOBPTGS2PTGS1CA12
SCHEMBL6050854 0.80 MAOA (0.59) MAOAMAOBPTGS2PTGS1CA12
SCHEMBL1430142 0.80 CA2 (0.76) MAOAMAOBPTGS2PTGS1CA12

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 MAOA 3650/4885MAOB 3318/4885PTGS2 151/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 MAOA 3369/4885MAOB 3317/4885PTGS2 156/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 MAOA 3726/4885MAOB 3326/4885PTGS2 138/4885

“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.