SCHEMBL6050776

SCHEMBL6050776

CCCCCc1cc(CN)sc1CCCCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2A P28223 2/20 0.35
TLR8 Q9NR97 7/20 0.34
GPR35 Q9HC97 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
SCHEMBL6050795 0.82 ALOX5 (0.42) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL10573937 0.74 ALOX5 (0.37) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL11203458 0.74 ALOX5 (0.37) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL6050836 0.74 ALOX5 (0.37) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL14099994 0.74 ALOX5 (0.45) TYRMEN1TP53CYP3A4ALOX5
Bromide SCHEMBL7996898 0.71 TYR (0.33) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL1855556 0.71 GPR35 (0.43) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL26603205 0.69 HIF1A (0.38) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL11000048 0.69 ALDH1A1 (0.35) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL27760799 0.69 GPR35 (0.57) TYRMEN1TP53CYP3A4ALOX5

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 14 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-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 TYR 1619/4885MEN1 4842/4885TP53 3566/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 TYR 2722/4885MEN1 4798/4885TP53 4058/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 TYR 2032/4885MEN1 4806/4885TP53 3793/4885

“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.