SCHEMBL7620139

SCHEMBL7620139

NS(=O)(=O)c1ccc(-c2cc(C(=O)O)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.78
PTGS1 P23219 10/20 0.78
MAPK14 Q16539 3/20 0.66
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
KDM4E B2RXH2 1/20 0.49
MT-CO1 P00395 1/20 0.49
MT-CO2 P00403 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL7621475 0.88 PTGS2 (1.00) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985342 0.87 MAPK14 (0.83) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985490 0.87 PTGS2 (0.67) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL5253265 0.80 MAPK14 (1.00) PTGS2PTGS1MAPK14
SCHEMBL8985520 0.79 MAPK14 (0.66) PTGS2PTGS1MAPK14
SCHEMBL8985461 0.78 PTGS2 (0.68) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985288 0.77 MAPK14 (0.67) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985362 0.77 OPRD1 (0.71) PTGS2PTGS1MAPK14KDM4ECYP1A2
SCHEMBL8985510 0.77 MAPK14 (0.67) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL3253233 0.77 PTGS2 (1.00) PTGS2PTGS1IKBKBCHUKKDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486194-B2 ALZHEIMER'S DISEASE MERCK FROSST CANADA, INC. (CA) 2002-11-26 US disclosed
US-20010016595-A1 Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases MERCK FROSST CANADA INC./MERCK FROSST CANADA & CO. 2001-08-23 US disclosed
US-6239173-B1 ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESIC, AND ANTIARTHRITIC AGENTS MERCK FROSST CANADA INC./MERCK FROSST CANADA & CO. (CA) 2001-05-29 US disclosed
EP-0980866-A2 Phenyl heterocycles as cyclooxygenase-2 inhibitors Merck Frosst Canada & Co. (CA) 2000-02-23 EP disclosed
US-5840746-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-11-24 US disclosed
EP-0822190-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1998-02-04 EP disclosed
US-5710140-A ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIPYRETIC AGENT MERCK FROSST CANADA, INC. (CA) 1998-01-20 US disclosed
CN-1143365-A Phenyl-heterocycles as COX-2 inhibitors MERCK FROSST CANADA INC (CA) 1997-02-19 CN disclosed
EP-0754687-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1997-01-22 EP disclosed
EP-0739340-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-10-30 EP disclosed
US-5550142-A CYCLOOXYGENASE INHIBITORS; ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETIC AGENTS MERCK FROSST CANADA INC. (CA) 1996-08-27 US disclosed
US-5536752-A TREATMENT OF CYCLOOXYGENASE-2 MEDIATED DISEASES; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1996-07-16 US disclosed
EP-0705254-A1 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-04-10 EP disclosed
US-5474995-A Nonsteroidal, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1995-12-12 US disclosed
WO-1995018799-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-07-13 WO disclosed
WO-1995000501-A2 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-01-05 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 (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-20010016595-A1 Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases PTGS1, PTGES2, PTGS2 PTGS2 3/4885PTGS1 1/4885MAPK14 1869/4885

“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.