SCHEMBL5169261

SCHEMBL5169261

CCOC(=O)C1=Cc2cc(OC(F)(F)F)cc(CC)c2O[C@H]1C(F)(F)F

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.79
PTGS1 P23219 15/20 0.79

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
SCHEMBL5171425 1.00 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL5169273 1.00 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL5643216 0.91 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5644989 0.91 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL16893898 0.91 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL16893868 0.91 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL16893869 0.91 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL16893895 0.91 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL5646382 0.91 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL20921399 0.90 PTGS2 (0.77) 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
EP-1778662-A1 PHOTORACEMIZATION OF 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES Warner-Lambert Company LLC (US) 2007-05-02 EP disclosed
WO-2006011045-A1 PHOTORACEMIZATION OF 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2006-02-02 WO disclosed
WO-2006011052-A1 METHOD FOR THE RACEMIZATION OF 2-TRIFLUORO-2H-CHROMENE-3-CARBOXYLIC ACIDS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-02 WO disclosed
US-20060020023-A1 Racemization method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US disclosed
US-20060016683-A1 Photoracamization method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 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-20060020023-A1 Racemization method STS, SQLE, HAO2 PTGS2 1102/4885PTGS1 1630/4885
US-20060016683-A1 Photoracamization method CYP3A43, CRY2, CRY1 PTGS2 728/4885PTGS1 1526/4885

“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.