SCHEMBL6406375

SCHEMBL6406375

CNS(=O)(=O)c1ccc2c(c1)CC(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.40
OPRK1 P41145 2/20 0.40
PNMT P11086 3/20 0.39
RORC P51449 11/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
KIF11 P52732 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
SCHEMBL6406928 1.00 CYP2D6 (0.40) CYP2D6OPRK1PNMTRORCNPC1
SCHEMBL6412298 0.89 ALDH1A1 (0.38) CYP2D6RORCNPC1RAB9AMEN1
SCHEMBL6407228 0.89 ALDH1A1 (0.38) CYP2D6RORCNPC1RAB9AMEN1
SCHEMBL6406276 0.87 PNMT (0.43) PNMTRORCTDP1ALDH1A1
SCHEMBL6403549 0.87 PNMT (0.43) PNMTRORCTDP1ALDH1A1
SCHEMBL6406107 0.85 GAA (0.47) PNMTRAB9AMEN1ALDH1A1KMT2A
SCHEMBL6406859 0.85 GAA (0.47) PNMTRAB9AMEN1ALDH1A1KMT2A
SCHEMBL6409784 0.85 PNMT (0.43) PNMT
SCHEMBL6410836 0.85 PNMT (0.43) PNMT
SCHEMBL6406242 0.84 TSHR (0.38) NPC1RAB9ATDP1MEN1ALDH1A1

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 CYP2D6 36/4885OPRK1 302/4885PNMT 2278/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 CYP2D6 31/4885OPRK1 280/4885PNMT 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.