SCHEMBL6404648

SCHEMBL6404648

O=C(O)C1Cc2ccc(Cl)cc2OC1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.41
PTGS1 P23219 5/20 0.41
PNMT P11086 3/20 0.37
AKR1B1 P15121 2/20 0.36
P2RY6 Q15077 2/20 0.35
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
PGR P06401 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
SCHEMBL6406269 1.00 PTGS2 (0.41) PTGS2PTGS1PNMTAKR1B1P2RY6
SCHEMBL6406723 0.89 PTGS2 (0.44) PTGS2PTGS1PNMTP2RY6POLB
SCHEMBL6404285 0.89 PTGS2 (0.44) PTGS2PTGS1PNMTP2RY6POLB
SCHEMBL6408643 0.84 PTGS1 (0.41) PTGS2PTGS1PNMT
SCHEMBL6408200 0.84 PTGS2 (0.41) PTGS2PTGS1AKR1B1
SCHEMBL6409871 0.84 ADRA2A (0.38) PTGS2PNMTAKR1B1P2RY6
SCHEMBL6410823 0.84 ADRA2A (0.38) PTGS2PNMTAKR1B1P2RY6
SCHEMBL6405279 0.84 PTGS2 (0.41) PTGS2PTGS1AKR1B1
SCHEMBL6407729 0.83 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6405345 0.83 PTGS2 (0.42) PTGS2PTGS1

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 5 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
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 PTGS2 1/4885PTGS1 5/4885PNMT 2278/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885PNMT 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.