SCHEMBL5172247

SCHEMBL5172247

CCc1cc(OC(F)(F)F)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 15/20 1.00

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
SCHEMBL5172023 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5171215 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5172024 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL27628390 0.99 PTGS2 (0.98) PTGS2PTGS1
SCHEMBL27628490 0.99 PTGS2 (0.98) PTGS2PTGS1
SCHEMBL27628489 0.99 PTGS2 (0.98) PTGS2PTGS1
SCHEMBL5644933 0.93 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5644294 0.93 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5646984 0.93 PTGS2 (1.00) PTGS2PTGS1
Pyridine SCHEMBL5644548 0.93 PTGS2 (0.86) 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 30 patents — showing the first 20. 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 claimed
EP-1773802-A1 ENANTIOSELECTIVE METHOD FOR SEPARING SUBSTITUTED 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2007-04-18 EP claimed
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN claimed
WO-2006011045-A1 PHOTORACEMIZATION OF 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2006-02-02 WO claimed
WO-2006011052-A1 METHOD FOR THE RACEMIZATION OF 2-TRIFLUORO-2H-CHROMENE-3-CARBOXYLIC ACIDS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-02 WO claimed
WO-2006011047-A1 ENANTIOSELECTIVE METHOD FOR SEPARING SUBSTITUTED 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-02 WO claimed
US-20060020023-A1 Racemization method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US claimed
US-20060016683-A1 Photoracamization method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US claimed
US-20060020022-A1 Enantioselective separation method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US claimed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP claimed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US claimed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 WO claimed
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
EP-1778662-A1 PHOTORACEMIZATION OF 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES Warner-Lambert Company LLC (US) 2007-05-02 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 (5 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 6/4885
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
US-20060020022-A1 Enantioselective separation method SLC7A1, SLC10A1, DHCR7 PTGS2 3281/4885PTGS1 4145/4885
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.