SCHEMBL6409019

SCHEMBL6409019

O=C(O)[C@@H]1Cc2cc(Cl)cc(-c3cccs3)c2O[C@@H]1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 16/20 0.39
PTGS2 P35354 16/20 0.39
PIK3CD O00329 1/20 0.33
PRKDC P78527 1/20 0.33
USP7 Q93009 1/20 0.33
ACLY P53396 1/20 0.32

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
SCHEMBL6413486 1.00 PTGS1 (0.39) PTGS1PTGS2PIK3CDPRKDCUSP7
SCHEMBL6404786 0.84 PTGS1 (0.50) PTGS1PTGS2USP7
SCHEMBL6408758 0.84 PTGS1 (0.50) PTGS1PTGS2USP7
SCHEMBL6407693 0.81 PTGS2 (0.50) PTGS1PTGS2USP7
SCHEMBL6406249 0.81 PTGS2 (0.50) PTGS1PTGS2USP7
SCHEMBL6410743 0.80 PTGS1 (0.38) PTGS1PTGS2USP7
SCHEMBL6406264 0.80 PTGS1 (0.38) PTGS1PTGS2USP7
SCHEMBL6407996 0.79 PTGS2 (0.38) PTGS1PTGS2
SCHEMBL6407307 0.79 PTGS2 (0.38) PTGS1PTGS2
SCHEMBL6409650 0.78 PTGS2 (0.47) 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-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
EP-1274700-B1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORP (US) 2004-11-17 EP 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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders PTGS2, PTGES2, PTGER2 PTGS1 5/4885PTGS2 1/4885PIK3CD 4688/4885

“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.