SCHEMBL725974

SCHEMBL725974

COC1(c2ccc(S(C)(=O)=O)cc2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.42
ENPP2 Q13822 2/20 0.39
PTGS1 P23219 7/20 0.39
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL725655 0.78 PTGS2 (0.37) PTGS2ENPP2PTGS1
SCHEMBL8925415 0.75 PTGS2 (0.38) PTGS2ENPP2PTGS1
SCHEMBL726270 0.73 TAAR1 (0.36)
SCHEMBL19315862 0.73
SCHEMBL4429077 0.72 ALDH1A1 (0.35)
SCHEMBL3672322 0.69 LMNA (0.31) PTGS2
SCHEMBL12535871 0.69 IDO1 (0.44)
SCHEMBL2376239 0.68 ENPP2 (0.72) PTGS2ENPP2
SCHEMBL5140237 0.67 ALDH1A1 (0.43) PTGS2ENPP2PTGS1
SCHEMBL29429160 0.67 ENPP2 (0.38) PTGS2ENPP2PTGS1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018109781-A1 A PROCESS FOR THE PREPARATION OF FIROCOXIB SEQUENT SCIENTIFIC LIMITED (IN) 2018-06-21 WO disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
EP-2585431-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-01 EP disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
EP-1218366-B8 METHOD FOR PRODUCING COX-2 INHIBITORS MERIAL SAS (FR) 2005-11-09 EP disclosed
EP-1218366-B1 METHOD FOR PRODUCING COX-2 INHIBITORS MERIAL SAS (FR) 2005-09-14 EP disclosed
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
EP-1218366-A2 METHOD FOR PRODUCING COX-2 INHIBITORS MERIAL (FR) 2002-07-03 EP disclosed
WO-2001027098-A2 METHOD FOR PRODUCING COX-2 INHIBITORS MERIAL (FR) 2001-04-19 WO 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 1/4885ENPP2 1483/4885PTGS1 2/4885

“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.