SCHEMBL5647724

SCHEMBL5647724

CCOC(=O)C1=Cc2ccc(Cc3cc(Br)ccc3OC)cc2OC1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
PTGS2 P35354 11/20 0.42
PTGS1 P23219 7/20 0.42
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SLC26A6 Q9BXS9 1/20 0.37

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
SCHEMBL5646629 0.89 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL5669915 0.86 PTGS2 (0.49) NFKB1NFKB2RELAPTGS2PTGS1
SCHEMBL27918716 0.84 PTGS2 (0.48) NFKB1NFKB2RELAPTGS2PTGS1
SCHEMBL5646965 0.83 PTGS2 (0.45) NFKB1NFKB2RELAPTGS2PTGS1
SCHEMBL5644568 0.82 NFKB1 (0.52) NFKB1NFKB2RELAPTGS2PTGS1
SCHEMBL5645387 0.81 PTGS2 (0.50) NFKB1NFKB2RELAPTGS2PTGS1
SCHEMBL5648759 0.81 PTGS2 (0.46) NFKB1NFKB2RELAPTGS2PTGS1
SCHEMBL5647035 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5643376 0.80 PTGS2 (0.52) NFKB1NFKB2RELAPTGS2PTGS1
SCHEMBL5644193 0.80 PTGS2 (0.45) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
EP-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 EP disclosed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO 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 NFKB1 164/4885NFKB2 83/4885RELA 60/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES NFKB1 270/4885NFKB2 150/4885RELA 80/4885

“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.