SCHEMBL5646872

SCHEMBL5646872

CCC(CC)COc1c(Cl)cc2c(c1C)OC(C(F)(F)F)C(C(=O)OC)=C2

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 17/20 0.55
PTGS2 P35354 18/20 0.54

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
SCHEMBL5646604 0.90 PTGS1 (0.67) PTGS1PTGS2
SCHEMBL27648356 0.89 PTGS1 (0.66) PTGS1PTGS2
SCHEMBL5643373 0.89 PTGS1 (0.55) PTGS1PTGS2
SCHEMBL5649538 0.85 PTGS1 (0.65) PTGS1PTGS2
SCHEMBL5646371 0.81 PTGS2 (0.49) PTGS1PTGS2
SCHEMBL5648293 0.81 PTGS1 (0.81) PTGS1PTGS2
SCHEMBL5645618 0.80 PTGS1 (0.83) PTGS1PTGS2
SCHEMBL5646589 0.80 PTGS1 (0.57) PTGS1PTGS2
SCHEMBL5647528 0.80 PTGS1 (0.66) PTGS1PTGS2
SCHEMBL5645489 0.77 PTGS2 (0.68) PTGS1PTGS2

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 3 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
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

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 PTGS1 6/4885PTGS2 3/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES PTGS1 7/4885PTGS2 4/4885

“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.