SCHEMBL5645865

SCHEMBL5645865

Cc1cc(Cl)c(Oc2ccc3c(c2C)OC(C(F)(F)F)C(C(=O)O)=C3)cc1C

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.61
PTGS1 P23219 16/20 0.61

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
SCHEMBL5646515 0.89 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5650578 0.88 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5646069 0.87 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5644515 0.86 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5645303 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5643947 0.84 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5647095 0.84 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5642960 0.84 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5648567 0.84 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5646235 0.84 PTGS2 (0.67) PTGS2PTGS1

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
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN claimed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP claimed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US claimed
US-20050124651-A1 Solid pharmaceutical preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-09 US claimed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 WO claimed
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050124651-A1 Solid pharmaceutical preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-09 US disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 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 (2 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 PTGS2 3/4885PTGS1 6/4885
US-20050124651-A1 Solid pharmaceutical preparation SLC6A2, SLC18A2, SLC6A3 PTGS2 2072/4885PTGS1 1924/4885

“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.