SCHEMBL6050655

SCHEMBL6050655

COc1ccc(-c2cscc2-c2ccc(SC)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.57
▸ PTGS1 P23219 1/20 0.57
▸ CYP1A1 P04798 3/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ CYP1B1 Q16678 3/20 0.53
▸ GSK3B P49841 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ APP P05067 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL6050667 0.87 PTGS2 (0.70) PTGS2PTGS1ALDH1A1APPABL1
SCHEMBL16146442 0.82 CYP1A1 (0.67) CYP1A1CYP1A2CYP1B1GSK3BALDH1A1
SCHEMBL11986269 0.80 CYP1A1 (0.75) CYP1A1CYP1A2CYP1B1GSK3BALDH1A1
SCHEMBL1145983 0.80 CYP1A1 (0.75) CYP1A1CYP1A2CYP1B1GSK3BALDH1A1
Hydrogen Sulfide SCHEMBL17008164 0.78 CYP1A1 (0.72) CYP1A1CYP1A2CYP1B1GSK3BALDH1A1
SCHEMBL27778545 0.78 CYP1A1 (0.72) CYP1A1CYP1A2CYP1B1GSK3BALDH1A1
SCHEMBL6050625 0.78 PTGS2 (0.60) PTGS2PTGS1GSK3BALDH1A1ESR1
SCHEMBL6517923 0.77 PTGS1 (0.68) PTGS2PTGS1CYP1A1CYP1A2CYP1B1
SCHEMBL17707845 0.74 PTGS2 (0.56) PTGS2PTGS1ALDH1A1APPABL1
SCHEMBL2037227 0.74 PTGS2 (0.56) PTGS2PTGS1ALDH1A1APPABL1

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 151/4885PTGS1 17/4885CYP1A1 137/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 PTGS2 156/4885PTGS1 5/4885CYP1A1 227/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 PTGS2 138/4885PTGS1 17/4885CYP1A1 137/4885

“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.

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