SCHEMBL6409858

SCHEMBL6409858

N#Cc1ccc2c(c1)CC(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
PNMT P11086 5/20 0.40
P2RY6 Q15077 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
PTGS1 P23219 1/20 0.34
RIPK1 Q13546 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
ABCB1 P08183 6/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 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
SCHEMBL6405841 1.00 PTGS2 (0.47) PTGS2PNMTP2RY6TDP1PTGS1
SCHEMBL6406175 0.88 PTGS2 (0.47) PTGS2P2RY6TDP1PTGS1
SCHEMBL6407893 0.88 PTGS2 (0.47) PTGS2P2RY6TDP1PTGS1
SCHEMBL6407324 0.85 FFAR1 (0.42) PTGS2P2RY6TDP1PTGS1
SCHEMBL6408575 0.85 FFAR1 (0.42) PTGS2P2RY6TDP1PTGS1
SCHEMBL6680877 0.82 PTGS2 (0.45) PTGS2PNMTP2RY6TDP1PTGS1
SCHEMBL6404285 0.81 PTGS2 (0.44) PTGS2PNMTP2RY6TDP1PTGS1
SCHEMBL6406723 0.81 PTGS2 (0.44) PTGS2PNMTP2RY6TDP1PTGS1
SCHEMBL6405425 0.81 PTGS2 (0.44) PTGS2TDP1PTGS1RIPK1
SCHEMBL6406365 0.81 PTGS2 (0.44) PTGS2TDP1PTGS1RIPK1

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 1/4885PNMT 2278/4885P2RY6 1068/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS2 1/4885PNMT 1854/4885P2RY6 1351/4885

“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.