SCHEMBL6407231

SCHEMBL6407231

O=C(O)C1Cc2cc(F)cc(Br)c2OC1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.37
RIPK1 Q13546 1/20 0.37
PARP1 P09874 3/20 0.36
PTGS2 P35354 4/20 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
SCHEMBL6409243 1.00 P2RY6 (0.37) P2RY6RIPK1PARP1PTGS2
SCHEMBL6405667 0.88 PTGS2 (0.34) PTGS2
SCHEMBL6405821 0.88 PTGS2 (0.34) PTGS2
SCHEMBL6410737 0.86 PARP1 (0.38) P2RY6PARP1
SCHEMBL6405330 0.86 PARP1 (0.38) P2RY6PARP1
SCHEMBL6403919 0.86 PTGS2 (0.37) PTGS2
SCHEMBL6407254 0.86 PTGS2 (0.37) PTGS2
SCHEMBL6405655 0.86 PTGS2 (0.36) PTGS2
SCHEMBL6409760 0.86 PTGS2 (0.36) PTGS2
SCHEMBL6412137 0.84 PTGS2 (0.38) PARP1PTGS2

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 3 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

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 P2RY6 1068/4885RIPK1 4662/4885PARP1 2994/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 P2RY6 1351/4885RIPK1 4488/4885PARP1 2423/4885

“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.