Sugi Predict

Sugi Predict / Compounds / SCHEMBL6405460

SCHEMBL6405460

SCHEMBL6405460

O=C(O)[C@@H]1Cc2cc(Oc3ccc(Cl)cc3)cc(Cl)c2O[C@@H]1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ FFAR4 Q5NUL3 4/20 0.37
▸ PTGS1 P23219 5/20 0.36
▸ PTGS2 P35354 5/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ MMP8 P22894 2/20 0.33
▸ CDH1 P12830 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ TCF7L2 Q9NQB0 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ PPARG P37231 2/20 0.32
▸ PPARD Q03181 2/20 0.32
▸ PPARA Q07869 2/20 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
SCHEMBL6413449 0.92 FFAR4 (0.38) LMNAFFAR4PTGS1PTGS2PDE4A
SCHEMBL6405701 0.92 FFAR4 (0.38) LMNAFFAR4PTGS1PTGS2PDE4A
SCHEMBL6405407 0.84 FFAR4 (0.41) ALDH1A1LMNAFFAR4PTGS1PTGS2
SCHEMBL6406371 0.84 FFAR4 (0.41) ALDH1A1LMNAFFAR4PTGS1PTGS2
SCHEMBL6410866 0.84 PTGS2 (0.52) ALDH1A1FFAR4PTGS1PTGS2PPARA
SCHEMBL6407140 0.84 PTGS2 (0.52) ALDH1A1FFAR4PTGS1PTGS2PPARA
SCHEMBL6405565 0.82 PTGS2 (0.47) LMNAPTGS1PTGS2
SCHEMBL6409650 0.82 PTGS2 (0.47) LMNAPTGS1PTGS2
SCHEMBL6410039 0.80 PTGDR2 (0.39) PTGDR2PPARGPPARDPPARA
SCHEMBL6409890 0.80 PTGDR2 (0.39) PTGDR2PPARGPPARDPPARA

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 ALDH1A1 112/4885LMNA 3616/4885FFAR4 1283/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 ALDH1A1 113/4885LMNA 4112/4885FFAR4 1641/4885

“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.