Sugi Predict

Sugi Predict / Compounds / SCHEMBL6407208

SCHEMBL6407208

SCHEMBL6407208

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PNMT P11086 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ AADAT Q8N5Z0 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ FFAR4 Q5NUL3 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ GRM3 Q14832 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ FKBP1A P62942 1/20 0.33

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
SCHEMBL6407885 1.00 PTGS1 (0.44) PTGS1PTGS2LMNAMAPTPNMT
SCHEMBL6412354 0.91 TDP1 (0.36) PTGS1PTGS2LMNAMAPTTDP1
SCHEMBL6403847 0.91 TDP1 (0.36) PTGS1PTGS2LMNAMAPTTDP1
SCHEMBL6407269 0.90 HRH3 (0.43) PTGS1PTGS2LMNATDP1PPARD
SCHEMBL6408794 0.90 HRH3 (0.43) PTGS1PTGS2LMNATDP1PPARD
SCHEMBL6408643 0.89 PTGS1 (0.41) PTGS1PTGS2LMNAMAPTPNMT
SCHEMBL6780340 0.87 PDE4A (0.43) PTGS1PTGS2PPARDFFAR4FFAR1
SCHEMBL6410142 0.87 PDE4A (0.43) PTGS1PTGS2PPARDFFAR4FFAR1
SCHEMBL6406723 0.84 PTGS2 (0.44) PTGS1PTGS2PNMTTDP1FFAR4
SCHEMBL6410893 0.84 GLS (0.38) MAPTPNMTTDP1FFAR4KDM4E

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-6894086-B2 Color effect compositions PPG INDUSTRIES OHIO, INC. (US) 2005-05-17 — — US disclosed
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 PTGS1 5/4885PTGS2 1/4885LMNA 3616/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS1 2/4885PTGS2 1/4885LMNA 4112/4885

“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.