SCHEMBL6405612

SCHEMBL6405612

O=C(O)[C@@H]1Cc2cc(C(F)F)ccc2O[C@@H]1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
PDE2A O00408 1/20 0.32
PTGS1 P23219 2/20 0.31
ABCC4 O15439 1/20 0.31
FFAR4 Q5NUL3 3/20 0.31
PTGS2 P35354 1/20 0.31
FFAR1 O14842 1/20 0.30

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
SCHEMBL6410048 1.00 TDP1 (0.35) TDP1PDE2APTGS1ABCC4FFAR4
SCHEMBL6410882 0.88 TDP1 (0.34) TDP1FFAR4
SCHEMBL6412086 0.88 TDP1 (0.34) TDP1FFAR4
SCHEMBL6412199 0.82 GLS (0.38) TDP1FFAR4FFAR1
SCHEMBL6410893 0.82 GLS (0.38) TDP1FFAR4FFAR1
SCHEMBL6406365 0.82 PTGS2 (0.44) TDP1PTGS1FFAR4PTGS2
SCHEMBL6404285 0.82 PTGS2 (0.44) TDP1PTGS1FFAR4PTGS2
SCHEMBL6405425 0.82 PTGS2 (0.44) TDP1PTGS1FFAR4PTGS2
SCHEMBL6406723 0.82 PTGS2 (0.44) TDP1PTGS1FFAR4PTGS2
SCHEMBL6407885 0.82 PTGS1 (0.44) TDP1PTGS1FFAR4PTGS2FFAR1

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 TDP1 1920/4885PDE2A 1063/4885PTGS1 5/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 TDP1 1068/4885PDE2A 1307/4885PTGS1 2/4885

“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.