SCHEMBL6407140

SCHEMBL6407140

COc1cc(Cl)c2c(c1)CC(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.52
PTGS1 P23219 13/20 0.52
ALDH1A1 P00352 1/20 0.33
FFAR2 O15552 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6410866 1.00 PTGS2 (0.52) PTGS2PTGS1ALDH1A1FFAR2FFAR4
SCHEMBL6405542 0.87 PTGS1 (0.41) PTGS2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL6405674 0.87 PTGS1 (0.41) PTGS2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL6405460 0.84 ALDH1A1 (0.38) PTGS2PTGS1ALDH1A1FFAR4PPARA
SCHEMBL6408969 0.84 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6408671 0.84 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6409650 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6405565 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6405611 0.83 PTGS1 (0.39) PTGS2PTGS1ALDH1A1
SCHEMBL6404161 0.83 PTGS1 (0.39) PTGS2PTGS1ALDH1A1

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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders G.D. SEARLE & CO. (US) 2005-01-13 US disclosed
US-6822102-B2 COMPOUNDS SUCH AS (2S,3R)-6,8-DICHLORO-3,4-DIHYDRO-2-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-3 -CARBOXYLIC ACID, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC, ANTICARCINOGENIC AGENTS OR ANALGESICS PHARMACIA CORPORATION 2004-11-23 US disclosed
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PHARMACIA CORPORATION 2003-12-18 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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 5/4885ALDH1A1 112/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885ALDH1A1 113/4885

“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.