Sugi Predict

Sugi Predict / Compounds / SCHEMBL1173288

SCHEMBL1173288

SCHEMBL1173288

C[C@@](N)(C(=O)O)c1cc(Br)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ AR P10275 1/20 0.38
▸ PPARA Q07869 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ PTGFR P43088 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RBP4 P02753 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AKR1C3 P42330 1/20 0.33

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
SCHEMBL246150 1.00 DGAT1 (0.42) DGAT1PTGDR2ARPPARAKDM4E
SCHEMBL14889830 1.00 DGAT1 (0.42) DGAT1PTGDR2ARPPARAKDM4E
Hydrochloric Acid SCHEMBL15261187 0.98 DGAT1 (0.41) DGAT1PTGDR2ARPPARAKDM4E
SCHEMBL16437892 0.83 PTGDR2 (0.43) DGAT1PTGDR2ARPPARAKDM4E
SCHEMBL247425 0.83 SMN1; SMN2 (0.40) DGAT1PTGDR2ALDH1A1NPC1LMNA
SCHEMBL15535558 0.83 SMN1; SMN2 (0.40) DGAT1PTGDR2ALDH1A1NPC1LMNA
SCHEMBL11894382 0.83 SMN1; SMN2 (0.40) DGAT1PTGDR2ALDH1A1NPC1LMNA
SCHEMBL15028722 0.80 CYP1A2 (0.43) DGAT1PTGDR2ARPPARAKDM4E
SCHEMBL27901479 0.79 PTGDR2 (0.39) DGAT1PTGDR2ARPPARASLC22A12
SCHEMBL11300627 0.78 DGAT1 (0.37) DGAT1PTGDR2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855469-B1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-06-19 — — EP disclosed
EP-3083644-B1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN LA ROCHE (CH) 2019-03-13 — — EP disclosed
US-9605006-B2 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines HOFFMANN-LA ROCHE INC. (US) 2017-03-28 — — US disclosed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 — — US disclosed
EP-3083644-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES F. Hoffmann-La Roche AG (CH) 2016-10-26 — — EP disclosed
US-9273042-B2 5-amino[1,4]thiazines as BACE 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-03-01 — — US disclosed
US-9242943-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors SIENA BIOTECH S.P.A. (IT) 2016-01-26 — — US disclosed
WO-2015091595-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 — — WO disclosed
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 — — US disclosed
EP-2855469-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-04-08 — — EP disclosed
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2013-08-01 — — US disclosed
US-8399459-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-03-19 — — US disclosed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 — — US disclosed
CN-102639516-A 3-amino-5-phenyl-5, 6-dihydro-2H- [1,4] oxazine derivatives HOFFMANN LA ROCHE 2012-08-15 — — CN disclosed
WO-2012104263-A2 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — WO disclosed
US-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS SIENA BIOTECH S.P.A. (IT) 2012-08-02 — — US disclosed
WO-2012098064-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-19 — — US 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-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 (7 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-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES BACE1, BACE2, PSEN1 DGAT1 2354/4885PTGDR2 1221/4885AR 2841/4885
US-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 DGAT1 2205/4885PTGDR2 1988/4885AR 3920/4885
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP DGAT1 2195/4885PTGDR2 1386/4885AR 2831/4885
US-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 DGAT1 2036/4885PTGDR2 1944/4885AR 4015/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP DGAT1 1954/4885PTGDR2 1306/4885AR 2964/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP DGAT1 1954/4885PTGDR2 1306/4885AR 2964/4885
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS BACE1, BACE2, PSEN1 DGAT1 2883/4885PTGDR2 3777/4885AR 3291/4885

“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.