SCHEMBL6410893

SCHEMBL6410893

O=C(O)[C@@H]1Cc2cc(Br)ccc2O[C@@H]1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.38
ADRA2A P08913 1/20 0.38
PNMT P11086 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
P2RY6 Q15077 1/20 0.35
PBRM1 Q86U86 1/20 0.34
AR P10275 1/20 0.34
AKR1B1 P15121 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
FFAR4 Q5NUL3 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PLA2G1B P04054 1/20 0.32
GAPDH P04406 1/20 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
SCHEMBL6412199 1.00 GLS (0.38) GLSADRA2APNMTTDP1P2RY6
SCHEMBL6405578 0.90 FFAR4 (0.36) GLSTDP1P2RY6FFAR4FFAR1
SCHEMBL6404784 0.90 FFAR4 (0.36) GLSTDP1P2RY6FFAR4FFAR1
SCHEMBL6409871 0.89 ADRA2A (0.38) ADRA2APNMTTDP1P2RY6PBRM1
SCHEMBL6410823 0.89 ADRA2A (0.38) ADRA2APNMTTDP1P2RY6PBRM1
SCHEMBL6406723 0.84 PTGS2 (0.44) GLSPNMTTDP1P2RY6AR
SCHEMBL6406365 0.84 PTGS2 (0.44) TDP1AKR1B1KDM4EFFAR4
SCHEMBL6405425 0.84 PTGS2 (0.44) TDP1AKR1B1KDM4EFFAR4
SCHEMBL6407885 0.84 PTGS1 (0.44) PNMTTDP1MAPTKDM4EFFAR4
SCHEMBL6410811 0.84 TDP1 (0.37) TDP1FFAR4FFAR1

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 GLS 415/4885ADRA2A 426/4885PNMT 2278/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 GLS 510/4885ADRA2A 555/4885PNMT 1854/4885

“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.