Sugi Predict

Sugi Predict / Compounds / SCHEMBL6409664

SCHEMBL6409664

SCHEMBL6409664

O=C(O)C1Cc2cccc(-c3ccccc3)c2OC1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DRD2 P14416 2/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ GPR52 Q9Y2T5 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PRKAB2 O43741 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAG3 Q9UGI9 1/20 0.36
▸ PRKAG2 Q9UGJ0 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ABHD6 Q9BV23 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL6407873 1.00 MMP3 (0.40) MMP3MMP8SMN1; SMN2DRD2HTR7
SCHEMBL6408758 0.83 PTGS1 (0.50) FFAR4PTGS1PTGS2
SCHEMBL6404786 0.83 PTGS1 (0.50) FFAR4PTGS1PTGS2
SCHEMBL6406207 0.83 MEN1 (0.35) MMP3MMP8SMN1; SMN2FFAR4PRKAB2
SCHEMBL6412041 0.83 MEN1 (0.35) MMP3MMP8SMN1; SMN2FFAR4PRKAB2
SCHEMBL6408740 0.82 P2RY6 (0.38) MMP3MMP8PTGS1PTGS2MEN1
SCHEMBL6406130 0.82 P2RY6 (0.38) MMP3MMP8PTGS1PTGS2MEN1
SCHEMBL6406256 0.80 POLB (0.35) MMP3MMP8SMN1; SMN2DRD2PTGS2
SCHEMBL6406168 0.80 POLB (0.35) MMP3MMP8SMN1; SMN2DRD2PTGS2
SCHEMBL6412111 0.79 ALOX15 (0.36) MMP3MMP8SMN1; SMN2DRD2PTGS2

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 MMP3 1552/4885MMP8 2221/4885SMN1; SMN2 1939/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 MMP3 1938/4885MMP8 2386/4885SMN1; SMN2 2327/4885

“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.