SCHEMBL6408656

SCHEMBL6408656

O=C(O)[C@@H]1Cc2cc(-c3cccs3)ccc2O[C@@H]1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.37
HDAC2 Q92769 13/20 0.36
HDAC3 O15379 12/20 0.36
HDAC1 Q13547 12/20 0.36
RPS6KB2 Q9UBS0 1/20 0.36
ERN1 O75460 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
SCHEMBL6407275 1.00 SLC6A9 (0.37) SLC6A9HDAC2HDAC3HDAC1RPS6KB2
SCHEMBL6403861 0.84 HRH3 (0.42)
SCHEMBL6405687 0.84 HRH3 (0.42)
SCHEMBL6410937 0.81 FFAR4 (0.38) HDAC2HDAC3HDAC1
SCHEMBL6406077 0.81 FFAR4 (0.38) HDAC2HDAC3HDAC1
SCHEMBL6406355 0.81 HDAC2 (0.36) HDAC2HDAC3HDAC1
SCHEMBL6405461 0.81 HDAC2 (0.36) HDAC2HDAC3HDAC1
SCHEMBL6411077 0.80 PTGS2 (0.38)
SCHEMBL6409748 0.80 PTGS2 (0.38)
SCHEMBL6404784 0.80 FFAR4 (0.36)

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 SLC6A9 4172/4885HDAC2 1781/4885HDAC3 2999/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 SLC6A9 4506/4885HDAC2 1711/4885HDAC3 2986/4885

“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.