SCHEMBL6050874

SCHEMBL6050874

CN(C=O)CC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ CDC25B P30305 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ ABCB1 P08183 1/20 0.41

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
SCHEMBL25132761 0.89 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL14586581 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8377212 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL19726788 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8377215 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL19866307 0.83 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL11586183 0.81 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL20644643 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL7138745 0.80 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL16285813 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1MAPTHPGD

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-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
EP-1086941-B1 PROCESS FOR PREPARING REDUCTANTS OF UNSATURATED ORGANIC COMPOUNDS BY THE USE OF TRICHLOROSILANE AND REDUCING AGENTS TOKUYAMA CORP (JP) 2005-08-17 — — EP 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-6420613-B1 CHEMICAL REDUCTION WITH TRICHLOROSILANE TOKUYAMA CORPORATION (JP) 2002-07-16 — — 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-1086941-A1 PROCESS FOR PREPARING REDUCTANTS OF UNSATURATED ORGANIC COMPOUNDS BY THE USE OF TRICHLOROSILANE AND REDUCING AGENTS TOKUYAMA CORPORATION (JP) 2001-03-28 — — EP 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
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 — — US 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
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 — — EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 — — 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 ALDH1A1 261/4885MAPK1 376/4885L3MBTL1 3506/4885
US-20020058691-A1 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents NR3C1, FPR1, NR4A1 ALDH1A1 240/4885MAPK1 402/4885L3MBTL1 3445/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 ALDH1A1 274/4885MAPK1 596/4885L3MBTL1 3731/4885

“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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