SCHEMBL6409660

SCHEMBL6409660

O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2N[C@@H]1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45
CES1 P23141 1/20 0.40
FFAR4 Q5NUL3 11/20 0.39
HDAC8 Q9BY41 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NOTUM Q6P988 1/20 0.36
PIM1 P11309 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL6409160 1.00 BCL2L1 (0.45) BCL2L1MCL1CES1FFAR4HDAC8
SCHEMBL27479425 0.82 GAA (0.51) BCL2L1MCL1CES1FFAR4HDAC8
SCHEMBL6407971 0.81 PNMT (0.40) BCL2L1MCL1GAA
SCHEMBL6409015 0.81 PNMT (0.40) POLBGAA
SCHEMBL6405243 0.81 PNMT (0.40) BCL2L1MCL1GAA
SCHEMBL6409652 0.81 PNMT (0.40) POLBGAA
SCHEMBL6405319 0.81 PNMT (0.40) FFAR4HDAC8NOTUMPIM1ALDH1A1
SCHEMBL6405280 0.81 PNMT (0.40) PTGS1PTGS2ALDH1A1GAA
SCHEMBL6406397 0.81 PNMT (0.40) PTGS1PTGS2ALDH1A1GAA
SCHEMBL6404641 0.81 PNMT (0.40) FFAR4HDAC8NOTUMPIM1ALDH1A1

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 6 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
EP-1274700-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS Pharmacia Corporation (US) 2003-01-15 EP disclosed
WO-2001049675-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2001-07-12 WO 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 BCL2L1 2583/4885MCL1 3841/4885CES1 830/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 BCL2L1 1949/4885MCL1 2691/4885CES1 688/4885

“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.