SCHEMBL5645146

SCHEMBL5645146

COc1cccc(-c2cc3c(cc2OC)OC(C(F)(F)F)C(C(=O)O)=C3)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.64
PTGS1 P23219 10/20 0.64

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
SCHEMBL5645788 0.91 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5768745 0.89 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL5651450 0.89 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5646968 0.89 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL5643789 0.87 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5770129 0.87 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5646351 0.87 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5645718 0.86 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5648847 0.85 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5648678 0.85 PTGS2 (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US claimed
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US 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
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 (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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 PTGS2 3/4885PTGS1 6/4885

“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.