SCHEMBL2331577

SCHEMBL2331577

CC(Nc1ccc(F)c(F)c1F)C(=O)ONC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.51
NPC1 O15118 4/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2334831 0.77 POLB (0.49) EPHX2NPC1LMNAPOLBALDH1A1
SCHEMBL2339438 0.77 POLB (0.49) EPHX2NPC1LMNAPOLBALDH1A1
SCHEMBL2337104 0.77 POLB (0.49) EPHX2NPC1LMNAPOLBALDH1A1
Cyclohexylamine SCHEMBL2331574 0.75 EPHX2 (0.47) EPHX2NPC1LMNAPOLBALDH1A1
SCHEMBL2335553 0.73 POLB (0.44) EPHX2NPC1LMNAPOLBALDH1A1
SCHEMBL2331257 0.73 POLB (0.44) EPHX2NPC1LMNAPOLBALDH1A1
SCHEMBL2334589 0.73 POLB (0.44) EPHX2NPC1LMNAPOLBALDH1A1
SCHEMBL1241626 0.73 EPHX2 (0.49) EPHX2NPC1LMNAPOLBALDH1A1
SCHEMBL2331330 0.71 ALDH1A1 (0.46) EPHX2NPC1LMNAPOLBALDH1A1
SCHEMBL2331584 0.71 ALDH1A1 (0.46) EPHX2NPC1LMNAPOLBALDH1A1

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 EPHX2 2457/4885NPC1 4315/4885LMNA 1958/4885
US-20050027119-A1 Process for producing benzoxazine derivative and production intermediate thereof CYP4Z1, COASY, VAT1 EPHX2 2419/4885NPC1 4274/4885LMNA 2624/4885

“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.