SCHEMBL7223323

SCHEMBL7223323

CC1(C)OC(=O)C(OCC2CC2)=C1S(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.61
PTGS1 P23219 8/20 0.61
ARNT P27540 1/20 0.34
EPAS1 Q99814 1/20 0.34
BRD4 O60885 1/20 0.32
CNR2 P34972 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
Firocoxib SCHEMBL1383179 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5140758 0.75 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL20289792 0.72 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL21273790 0.71 PTGS2 (0.71) PTGS2PTGS1BRD4
SCHEMBL15714003 0.70 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL14280452 0.69 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL17208127 0.68 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL14315246 0.68 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL22808772 0.66 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL21816582 0.65 PTGS2 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6541646-B2 Reacting an oxirane compound containing phenylsulfonyl group with an acid in an anhydrous medium to form an intermediate, reacting the intermediate with a storng base in an aprotic solvent to form an ester compound,dehydrating the ester comp. MERIAL (FR) 2003-04-01 US disclosed
US-20030028036-A1 Method of preparing COX-2 inhibitors MERIAL (FR) 2003-02-06 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 (1 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-20030028036-A1 Method of preparing COX-2 inhibitors PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885ARNT 1182/4885

“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.