SCHEMBL6403716

SCHEMBL6403716

O=C(O)[C@@H]1Cc2ccc(Cl)c(Cl)c2O[C@@H]1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.38
PTGS1 P23219 8/20 0.38
AKR1B1 P15121 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.33
KMO O15229 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
NOTUM Q6P988 1/20 0.32
THRB P10828 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
SCHEMBL6407383 1.00 PTGS2 (0.38) PTGS2PTGS1AKR1B1LMNAMAPT
SCHEMBL6406130 0.84 P2RY6 (0.38) PTGS2PTGS1AKR1B1LMNAMAPT
SCHEMBL6412274 0.84 PTGS2 (0.44) PTGS2PTGS1LMNAMAPT
SCHEMBL6410754 0.84 PTGS2 (0.44) PTGS2PTGS1LMNAMAPT
SCHEMBL6408740 0.84 P2RY6 (0.38) PTGS2PTGS1AKR1B1LMNAMAPT
SCHEMBL6412275 0.81 PTGS2 (0.41) PTGS2PTGS1LMNAMAPTTSHR
SCHEMBL6405338 0.81 PTGS2 (0.41) PTGS2PTGS1LMNAMAPTTSHR
SCHEMBL6407918 0.81 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6404935 0.81 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6405611 0.79 PTGS1 (0.39) 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 4 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
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 5/4885AKR1B1 102/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885AKR1B1 150/4885

“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.