SCHEMBL6406130

SCHEMBL6406130

O=C(O)[C@@H]1Cc2cccc(Cl)c2O[C@@H]1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.38
PTGS1 P23219 5/20 0.36
PTGS2 P35354 5/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
PARP1 P09874 3/20 0.33
AKR1B1 P15121 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL6408740 1.00 P2RY6 (0.38) P2RY6PTGS1PTGS2TSHRTDP1
SCHEMBL6412041 0.85 MEN1 (0.35) L3MBTL1MEN1POLBKMT2AMMP3
SCHEMBL6406207 0.85 MEN1 (0.35) L3MBTL1MEN1POLBKMT2AMMP3
SCHEMBL6403716 0.84 PTGS2 (0.38) PTGS1PTGS2TSHRAKR1B1THRB
SCHEMBL6407383 0.84 PTGS2 (0.38) PTGS1PTGS2TSHRAKR1B1THRB
SCHEMBL6406168 0.82 POLB (0.35) PTGS2TDP1POLBMMP3MMP8
SCHEMBL6409664 0.82 MMP3 (0.40) PTGS1PTGS2MEN1KMT2AMMP3
SCHEMBL6407873 0.82 MMP3 (0.40) PTGS1PTGS2MEN1KMT2AMMP3
SCHEMBL6406256 0.82 POLB (0.35) PTGS2TDP1POLBMMP3MMP8
SCHEMBL6405565 0.81 PTGS2 (0.47) PTGS1PTGS2AKR1B1LMNAMAPT

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 P2RY6 1068/4885PTGS1 5/4885PTGS2 1/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 P2RY6 1351/4885PTGS1 2/4885PTGS2 1/4885

“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.