SCHEMBL5769183

SCHEMBL5769183

COc1cccc(C#Cc2cc(Cl)cc3c2OC(C(F)(F)F)C(C(=O)O)=C3)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.77
PTGS1 P23219 15/20 0.77

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
SCHEMBL6092007 0.90 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL6093530 0.90 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5771037 0.89 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL6092243 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6093841 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5767830 0.87 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL5645994 0.87 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL5768155 0.86 PTGS2 (0.81) PTGS2PTGS1
Hydrochloric Acid SCHEMBL5768415 0.85 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5646021 0.83 PTGS2 (0.84) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US claimed
EP-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 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
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS 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-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES PTGS2 4/4885PTGS1 7/4885

“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.