SCHEMBL6405761

SCHEMBL6405761

O=C(O)C1Cc2c(Cl)cc(Cl)cc2OC1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.43
PTGS1 P23219 8/20 0.41
SMN1; SMN2 Q16637 1/20 0.34
AKR1B1 P15121 1/20 0.33
GAPDH P04406 1/20 0.32
HSPA1A P0DMV8 1/20 0.32
HSPA8 P11142 1/20 0.32
GRM4 Q14833 1/20 0.31

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
SCHEMBL6409687 1.00 PTGS2 (0.43) PTGS2PTGS1SMN1; SMN2AKR1B1GAPDH
SCHEMBL6406952 0.84 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6407339 0.84 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6404569 0.81 PTGS2 (0.43) PTGS2PTGS1AKR1B1
SCHEMBL6405275 0.81 PTGS2 (0.43) PTGS2PTGS1AKR1B1
SCHEMBL6409650 0.78 PTGS2 (0.47) PTGS2PTGS1SMN1; SMN2AKR1B1
SCHEMBL6405565 0.78 PTGS2 (0.47) PTGS2PTGS1SMN1; SMN2AKR1B1
SCHEMBL6406269 0.78 PTGS2 (0.41) PTGS2PTGS1AKR1B1
SCHEMBL6404648 0.78 PTGS2 (0.41) PTGS2PTGS1AKR1B1
SCHEMBL6407729 0.78 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 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 5/4885SMN1; SMN2 1939/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885SMN1; SMN2 2327/4885

“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.