SCHEMBL6403847

SCHEMBL6403847

O=C(O)C1Cc2cc(C(F)(F)C(F)(F)F)ccc2OC1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
FFAR4 Q5NUL3 3/20 0.33
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
RORC P51449 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL6412354 1.00 TDP1 (0.36) TDP1PTGS2PTGS1FFAR4FFAR1
SCHEMBL6407885 0.91 PTGS1 (0.44) TDP1PTGS2PTGS1FFAR4FFAR1
SCHEMBL6407208 0.91 PTGS1 (0.44) TDP1PTGS2PTGS1FFAR4FFAR1
SCHEMBL6407269 0.88 HRH3 (0.43) TDP1PTGS2PTGS1FFAR4FFAR1
SCHEMBL6408794 0.88 HRH3 (0.43) TDP1PTGS2PTGS1FFAR4FFAR1
SCHEMBL6404285 0.83 PTGS2 (0.44) TDP1PTGS2PTGS1FFAR4HRH3
SCHEMBL6406365 0.83 PTGS2 (0.44) TDP1PTGS2PTGS1FFAR4RORC
SCHEMBL6406723 0.83 PTGS2 (0.44) TDP1PTGS2PTGS1FFAR4HRH3
SCHEMBL6412199 0.83 GLS (0.38) TDP1FFAR4FFAR1MAPT
SCHEMBL6405425 0.83 PTGS2 (0.44) TDP1PTGS2PTGS1FFAR4RORC

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 TDP1 1920/4885PTGS2 1/4885PTGS1 5/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 TDP1 1068/4885PTGS2 1/4885PTGS1 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.