SCHEMBL6412137

SCHEMBL6412137

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.38
PTGS1 P23219 9/20 0.38
PARP1 P09874 3/20 0.36
NOTUM Q6P988 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.33
AQP1 P29972 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
GRM4 Q14833 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
SCHEMBL6407117 1.00 PTGS2 (0.38) PTGS2PTGS1PARP1NOTUMTRPM8
SCHEMBL6409650 0.88 PTGS2 (0.47) PTGS2PTGS1LMNAMAPT
SCHEMBL6405565 0.88 PTGS2 (0.47) PTGS2PTGS1LMNAMAPT
SCHEMBL6405330 0.86 PARP1 (0.38) PARP1
SCHEMBL6410737 0.86 PARP1 (0.38) PARP1
SCHEMBL6405349 0.86 PTGS2 (0.39) PTGS2PTGS1LMNAMAPT
SCHEMBL6408671 0.86 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6408969 0.86 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6404143 0.86 PTGS2 (0.39) PTGS2PTGS1LMNAMAPT
SCHEMBL6407231 0.84 P2RY6 (0.37) PTGS2PARP1

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 PTGS2 1/4885PTGS1 5/4885PARP1 2994/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885PARP1 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.