SCHEMBL2331329

SCHEMBL2331329

C[C@H](Nc1ccc(F)c(F)c1F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
EPHX2 P34913 8/20 0.40
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL2331330 1.00 ALDH1A1 (0.46) ALDH1A1NPC1POLBSMN1; SMN2LMNA
SCHEMBL2331584 1.00 ALDH1A1 (0.46) ALDH1A1NPC1POLBSMN1; SMN2LMNA
SCHEMBL2339531 0.87 LMNA (0.42) ALDH1A1NPC1POLBSMN1; SMN2LMNA
Cyclohexylamine SCHEMBL2331574 0.85 EPHX2 (0.47) ALDH1A1NPC1POLBSMN1; SMN2LMNA
SCHEMBL17646176 0.84 SMN1; SMN2 (0.54) ALDH1A1NPC1SMN1; SMN2LMNARAB9A
SCHEMBL17260383 0.84 SMN1; SMN2 (0.54) ALDH1A1NPC1SMN1; SMN2LMNARAB9A
SCHEMBL2339438 0.83 POLB (0.49) ALDH1A1NPC1POLBSMN1; SMN2LMNA
SCHEMBL2334831 0.83 POLB (0.49) ALDH1A1NPC1POLBSMN1; SMN2LMNA
SCHEMBL2337104 0.83 POLB (0.49) ALDH1A1NPC1POLBSMN1; SMN2LMNA
SCHEMBL2332078 0.79 EPHX2 (0.44) ALDH1A1NPC1POLBLMNAEPHX2

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 ALDH1A1 393/4885NPC1 4315/4885POLB 851/4885
US-20050027119-A1 Process for producing benzoxazine derivative and production intermediate thereof CYP4Z1, COASY, VAT1 ALDH1A1 299/4885NPC1 4274/4885POLB 1511/4885

“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.