SCHEMBL3246285

SCHEMBL3246285

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.51
PTGS1 P23219 3/20 0.50
MAPK14 Q16539 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MT-CO1 P00395 1/20 0.50
MT-CO2 P00403 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
OPRD1 P41143 1/20 0.46

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
SCHEMBL8985304 0.88 PTGS2 (0.55) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985490 0.88 PTGS2 (0.67) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985205 0.85 PTGS2 (0.55) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL7617599 0.83 PTGS2 (0.64) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL3246286 0.83 PTGS2 (0.48) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985337 0.80 PTGS2 (0.52) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985408 0.80 PTGS2 (0.52) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985321 0.77 MAPK14 (0.68) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985212 0.77 PTGS2 (0.52) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL2349058 0.77 CA12 (0.66) PTGS2PTGS1KDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed
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 claimed
EP-0980866-A2 Phenyl heterocycles as cyclooxygenase-2 inhibitors Merck Frosst Canada & Co. (CA) 2000-02-23 EP claimed
JP-2977137-B2 1999-11-10 JP claimed
US-5840746-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-11-24 US claimed
EP-0822190-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1998-02-04 EP claimed
EP-0754687-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1997-01-22 EP claimed
CN-1125944-A Phenyl heterocyclic compounds useful as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC (CA) 1996-07-03 CN claimed
EP-0705254-A1 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-04-10 EP claimed
WO-1995000501-A2 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-01-05 WO claimed
EP-1146789-A4 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2007-02-14 EP disclosed
US-7041694-B1 Cyclooxygenase-2 inhibition CORNELL RESEARCH FOUNDATION, INC. (US) 2006-05-09 US disclosed
CN-1129576-C Phenyl heterocyclic compounds useful as cyclooxygenase-2 inhibitors MCFROST CANADA CO (CA) 2003-12-03 CN disclosed
US-6486194-B2 ALZHEIMER'S DISEASE MERCK FROSST CANADA, INC. (CA) 2002-11-26 US disclosed
US-6486203-B1 Treating inflammatory diseases of the head and neck with cyclooxygenase-2 inhibitors CORNELL RESEARCH FOUNDATION, INC. 2002-11-26 US disclosed
CN-1125944-A Phenyl heterocyclic compounds useful as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC (CA) 1996-07-03 CN 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.