Sugi Predict

Sugi Predict / Compounds / SCHEMBL6406846

SCHEMBL6406846

SCHEMBL6406846

O=C(O)[C@@H]1Cc2ccc(-c3ccccc3)cc2O[C@@H]1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.37
▸ ABHD6 Q9BV23 1/20 0.37
▸ FAAH O00519 4/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ PIK3CA P42336 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ S1PR5 Q9H228 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
SCHEMBL6405230 1.00 MMP3 (0.40) MMP3MMP8FFAR4ABHD6FAAH
SCHEMBL6405687 0.90 HRH3 (0.42) MMP3MMP8FFAR4ABHD6FAAH
SCHEMBL6403861 0.90 HRH3 (0.42) MMP3MMP8FFAR4ABHD6FAAH
SCHEMBL6406067 0.84 HPGD (0.40) MMP3MMP8
SCHEMBL6412064 0.84 HPGD (0.40) MMP3MMP8
SCHEMBL6404648 0.82 PTGS2 (0.41) —
SCHEMBL6410823 0.82 ADRA2A (0.38) ABHD6
SCHEMBL6405279 0.82 PTGS2 (0.41) LMNA
SCHEMBL6409871 0.82 ADRA2A (0.38) ABHD6
SCHEMBL6408200 0.82 PTGS2 (0.41) LMNA

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 MMP3 1552/4885MMP8 2221/4885FFAR4 1283/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 MMP3 1938/4885MMP8 2386/4885FFAR4 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.