SCHEMBL3865098

SCHEMBL3865098

CS(=O)(=O)C1=C(c2ccccc2)C(=O)OC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.62
PTGS1 P23219 8/20 0.62
ABCB11 O95342 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MT-CO2 P00403 1/20 0.62
HTR1A P08908 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
MC4R P32245 1/20 0.62
KMT2A Q03164 1/20 0.56

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
SCHEMBL7914602 0.85 PTGS1 (0.67) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
Rofecoxib SCHEMBL3050 0.77 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
Rofecoxib SCHEMBL4434618 0.77 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL5858026 0.77 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
Rofecoxib SCHEMBL14163950 0.77 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
Rofecoxib SCHEMBL6598209 0.76 PTGS2 (0.97) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL1981656 0.76 PTGS2 (0.62) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
Rofecoxib SCHEMBL28953295 0.76 PTGS2 (0.97) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
Rofecoxib SCHEMBL7860859 0.76 PTGS2 (0.97) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL4390995 0.74 PTGS2 (0.58) PTGS2PTGS1ABCB11ALDH1A1MT-CO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200119-A (METHYLSULFONYL) PHENYL-2- (5H) -FURANONE AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC (CA) 1998-11-25 CN claimed
EP-0863891-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-09-16 EP claimed
WO-1997014691-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-04-24 WO claimed
CN-110914250-B Novel process for synthesizing tilobaxib 珂思玛股份公司 2023-06-27 CN disclosed
EP-3609877-B1 PROCESS FOR THE SYNTHESIS OF FIROCOXIB COSMA S P A (IT) 2020-12-23 EP disclosed
CN-110914250-A Novel process for synthesizing felicoxib 珂思玛股份公司 2020-03-24 CN disclosed
US-20090291883-A1 COMBINATION OF AN IMMUNOSUPPRESSIVE AGENT AND NONSTEROIDAL ANTI -INFLAMMATORY DRUGS TO TREAT DISEASE BOSTON MEDICAL CENTER CORPORATION (US) 2009-11-26 US disclosed
EP-1090915-B1 Polymorphic B form of 3-(cyclopropylmethoxy)-4-¬-4-(methylsulfonyl)phenyl - 5,5-dimethyl-5H-furan-2-one MERIAL SAS (FR) 2009-05-27 EP disclosed
US-20090099139-A1 NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-04-16 US disclosed
US-7432285-B2 Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use NITROMED, INC. (US) 2008-10-07 US disclosed
CN-101166764-A Treatment of bone disorders GENENTECH INC (US) 2008-04-23 CN disclosed
US-6169188-B1 TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES MERCK FROSST CANADA & CO. (CA) 2001-01-02 US disclosed
WO-2000038730-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038786-A2 USE OF CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 WO disclosed
US-6071954-A AS NON-STEROIDAL ANTIINFLAMMATROY AGENT FOR TREATING INFLAMMATION; NONTOXIC MERK FROSST CANADA, INC. (CA) 2000-06-06 US disclosed
US-6020343-A (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors MERCK FROSST CANADA, INC. (CA) 2000-02-01 US disclosed
US-5981576-A (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors MERCK FROSST CANADA, INC. (CA) 1999-11-09 US disclosed
CN-1200119-A (METHYLSULFONYL) PHENYL-2- (5H) -FURANONE AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC (CA) 1998-11-25 CN disclosed
CN-1200119-A (METHYLSULFONYL) PHENYL-2- (5H) -FURANONE AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC (CA) 1998-11-25 CN 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 (1 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-20090099139-A1 NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE NOS2, PTGS2, PTGIS PTGS2 2/4885PTGS1 5/4885ABCB11 3281/4885

“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.