SCHEMBL2335241

SCHEMBL2335241

Cc1ccc(S(=O)(=O)OC2Oc3c(ccc(F)c3F)N[C@H]2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
MAPT P10636 2/20 0.30
HTT P42858 2/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2341653 0.82
SCHEMBL9035357 0.78 PTGS2 (0.38) PTGS2PTGS1CYP2D6CYP1A2ALDH1A1
SCHEMBL9582126 0.78 PTGS2 (0.38) PTGS2PTGS1CYP2D6CYP1A2ALDH1A1
SCHEMBL2331546 0.71 AR (0.37) PTGS2PTGS1CYP2D6ALDH1A1LMNA
SCHEMBL2336256 0.69
SCHEMBL7752502 0.68 CYP2D6 (0.45) CYP2D6CYP1A2ALDH1A1LMNACA12
SCHEMBL7754632 0.68 CYP2D6 (0.45) CYP2D6CYP1A2ALDH1A1LMNACA12
SCHEMBL7754518 0.68 CYP2D6 (0.45) CYP2D6CYP1A2ALDH1A1LMNACA12
SCHEMBL28368168 0.68 CYP2D6 (0.45) CYP2D6CYP1A2ALDH1A1LMNACA12
SCHEMBL1730826 0.63 CYP2D6 (0.43) CYP2D6CYP1A2ALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1211254-B1 Process for the preparation of benzoxazine derivatives and intermediates therefor DAIICHI SANKYO CO LTD (JP) 2014-05-07 EP disclosed
EP-2284174-B1 Intermediates for the preparation of benzoxazine derivatives and process for their preparation DAIICHI SANKYO CO LTD (JP) 2014-03-05 EP disclosed
EP-2360160-B1 Intermediates and their use for producing benzoxazine derivative DAIICHI SANKYO CO LTD (JP) 2013-07-24 EP disclosed
EP-2218722-B9 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-2218722-B1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI SANKYO CO LTD (JP) 2013-03-13 EP disclosed
EP-2360160-A1 Intermediates and their use for producing benzoxazine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-24 EP disclosed
EP-2284174-A1 INTERMEDIATES FOR THE PREPARATION OF BENZOXAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION Daiichi Sankyo Company, Limited (JP) 2011-02-16 EP disclosed
EP-2218722-A2 Process for producing benzoxazine derivative and production intermediate thereof Daiichi Sankyo Company, Limited (JP) 2010-08-18 EP disclosed
US-7189847-B2 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-13 US disclosed
US-7087778-B2 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-08 US disclosed
US-20060014947-A1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. 2006-01-19 US disclosed
US-6872823-B1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-03-29 US disclosed
US-20050027119-A1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. 2005-02-03 US disclosed
EP-1211254-A1 PROCESS FOR THE PREPARATION OF BENZOXAZINE DERIVATIVES AND INTERMEDIATES THEREFOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-05 EP 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-20060014947-A1 Process for producing benzoxazine derivative and production intermediate thereof CYP4Z1, COASY, VAT1 PTGS2 1118/4885PTGS1 1443/4885CYP2D6 46/4885
US-20050027119-A1 Process for producing benzoxazine derivative and production intermediate thereof CYP4Z1, COASY, VAT1 PTGS2 1207/4885PTGS1 1690/4885CYP2D6 29/4885

“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.