SCHEMBL5643000

SCHEMBL5643000

COc1cccc(Oc2ccc3c(c2)OC(C(F)(F)F)C(C(=O)O)=C3)c1OC

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.58
PTGS1 P23219 10/20 0.58
NFKB1 P19838 9/20 0.49
NFKB2 Q00653 9/20 0.49
RELA Q04206 9/20 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
SCHEMBL5645642 0.94 PTGS2 (0.60) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5645580 0.91 PTGS2 (0.61) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5648509 0.85 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5646025 0.84 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5645509 0.84 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5647548 0.84 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5644647 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5645559 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL27628347 0.83 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5645722 0.83 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 6/4885NFKB1 164/4885

“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.