Sugi Predict

Sugi Predict / Compounds / SCHEMBL1173445

SCHEMBL1173445

SCHEMBL1173445

COC(=O)c1ncccc1OCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ BACE2 Q9Y5Z0 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CACNA1G O43497 2/20 0.41
▸ CACNA1H O95180 2/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ CACNA1I Q9P0X4 1/20 0.40
▸ METAP2 P50579 2/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ GRM5 P41594 1/20 0.39

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
SCHEMBL459180 0.83 MAPT (0.47) L3MBTL1NFE2L2BACE1BACE2CYP1A2
SCHEMBL28269519 0.83 L3MBTL1 (0.54) L3MBTL1KMT2AALDH1A1GRM5
SCHEMBL31471005 0.82 L3MBTL1 (0.53) L3MBTL1NFE2L2KMT2ASSTR4HCRTR1
SCHEMBL286831 0.82 SMN1; SMN2 (0.46) L3MBTL1NFE2L2BACE1BACE2CYP1A2
SCHEMBL3602782 0.81 L3MBTL1 (0.55) L3MBTL1KMT2AALDH1A1HCRTR1GRM5
SCHEMBL6567848 0.79 L3MBTL1 (0.54) L3MBTL1NFE2L2KMT2AALDH1A1
SCHEMBL312146 0.79 L3MBTL1 (0.60) L3MBTL1NFE2L2KMT2AALDH1A1
SCHEMBL2450038 0.79 L3MBTL1 (0.53) L3MBTL1KMT2AALDH1A1HCRTR1GRM5
SCHEMBL2346222 0.78 L3MBTL1 (0.55) L3MBTL1NFE2L2ALDH1A1CNR2HCRTR1
SCHEMBL756477 0.78 L3MBTL1 (0.46) L3MBTL1NFE2L2KMT2AHCRTR1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 — — EP disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 — — WO disclosed
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. 2015-11-12 — — US disclosed
US-9115098-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMAN-LA ROCHE INC. (US) 2015-08-25 — — US disclosed
EP-2509966-B1 AMINO OXAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-22 — — EP disclosed
US-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-08-28 — — US disclosed
US-8754075-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-06-17 — — US disclosed
EP-2566855-B1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-05-21 — — EP disclosed
US-8673894-B2 2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-03-18 — — US disclosed
EP-2697208-A1 1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2014-02-19 — — EP disclosed
US-8188079-B2 3-amino-5-phenyl-5,6-dihydro-2H-[1,4]oxazines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 — — US disclosed
WO-2011138293-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-10 — — WO disclosed
US-7964594-B1 Amino oxazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 — — US disclosed
WO-2011070029-A1 AMINO OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 — — WO disclosed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 — — US disclosed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 — — WO disclosed
US-20110144098-A1 AMINO OXAZINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-16 — — US disclosed
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 — — WO disclosed
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2011-02-24 — — 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 (6 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-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors BACE2, BACE1, PSEN1 L3MBTL1 4206/4885NFE2L2 31/4885BACE1 2/4885
US-20110144098-A1 AMINO OXAZINE DERIVATIVES BACE2, BACE1, PSEN2 L3MBTL1 2942/4885NFE2L2 39/4885BACE1 2/4885
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 L3MBTL1 3402/4885NFE2L2 63/4885BACE1 2/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP L3MBTL1 4523/4885NFE2L2 53/4885BACE1 2/4885
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors BACE2, BACE1, PSEN1 L3MBTL1 4206/4885NFE2L2 31/4885BACE1 2/4885
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES BACE2, BACE1, APP L3MBTL1 4307/4885NFE2L2 31/4885BACE1 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.