SCHEMBL6050640

SCHEMBL6050640

Cc1csc(-c2sc(Br)cc2-c2ccc(F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.52
PTGS1 P23219 4/20 0.52
KDM4E B2RXH2 1/20 0.52
MT-CO1 P00395 1/20 0.52
MT-CO2 P00403 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK14 Q16539 10/20 0.38
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL10567547 0.89 PTGS2 (0.52) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8265994 0.80 PTGS2 (0.67) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL6483621 0.78 PTGS2 (0.71) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL10567394 0.78 MAPK14 (0.54) PTGS2PTGS1MAPK14
SCHEMBL11087510 0.78 PTGS2 (0.40) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL10912196 0.78 PTGS2 (0.39) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL6050629 0.74 PTGS2 (0.49) PTGS2PTGS1CYP3A4CYP2C19MAPK14
SCHEMBL10567533 0.74 PTGS2 (0.62) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL6050634 0.74 PTGS2 (0.62) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL10568378 0.72 MAPK14 (0.54) PTGS2PTGS1MAPK14

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4820827-A 2,3-diaryl-5-bromothiophene compounds of use for the treatment of inflammaton and dysmenorrhea E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-11 US claimed
US-4590205-A Antiinflammatory and/or analgesic 2,3-diaryl-5-halo thiophenes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-05-20 US claimed
EP-0087629-B1 ANTIINFLAMMATORY AND/OR ANALGESIC 2,3-DIARYL-5-HALO THIOPHENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-15 EP claimed
EP-0087629-A2 Antiinflammatory and/or analgesic 2,3-Diaryl-5-halo thiophenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-09-07 EP 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-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
US-4820827-A 2,3-diaryl-5-bromothiophene compounds of use for the treatment of inflammaton and dysmenorrhea E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-11 US disclosed
US-4820827-A 2,3-diaryl-5-bromothiophene compounds of use for the treatment of inflammaton and dysmenorrhea E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-11 US disclosed
US-4590205-A Antiinflammatory and/or analgesic 2,3-diaryl-5-halo thiophenes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-05-20 US disclosed
EP-0087629-B1 ANTIINFLAMMATORY AND/OR ANALGESIC 2,3-DIARYL-5-HALO THIOPHENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-15 EP disclosed
EP-0087629-A2 Antiinflammatory and/or analgesic 2,3-Diaryl-5-halo thiophenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-09-07 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 PTGS2 151/4885PTGS1 17/4885KDM4E 2119/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 PTGS2 156/4885PTGS1 5/4885KDM4E 2050/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 PTGS2 138/4885PTGS1 17/4885KDM4E 2748/4885

“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.