SCHEMBL15535815

SCHEMBL15535815

C[C@@](N)(C(=O)O)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.51
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
CYP2C19 P33261 3/20 0.44
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KAT6A Q92794 1/20 0.37
KIF11 P52732 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL714233 1.00 KCNN4 (0.51) KCNN4KCNE1KCNQ1CYP2C19HDAC3
SCHEMBL935388 1.00 KCNN4 (0.51) KCNN4KCNE1KCNQ1CYP2C19HDAC3
SCHEMBL18117413 0.85 KCNN4 (0.47) KCNN4KCNE1KCNQ1CYP2C19HDAC3
SCHEMBL20455505 0.81 ALDH1A1 (0.44) CYP2C19CYP1A2CYP2D6MAPTKMT2A
SCHEMBL15602074 0.80 KCNN4 (0.44) KCNN4KCNE1KCNQ1CYP2C19HDAC3
SCHEMBL30501782 0.80 KCNN4 (0.50) KCNN4KCNE1KCNQ1CYP2C19HDAC3
SCHEMBL1239901 0.80 KCNN4 (0.50) KCNN4KCNE1KCNQ1CYP2C19HDAC3
Hydrochloric Acid SCHEMBL16059704 0.79 KCNN4 (0.42) KCNN4KCNE1KCNQ1CYP2C19HDAC3
SCHEMBL11510850 0.78 CYP1A2 (0.44) CYP2C19CYP1A2CYP2D6MAPTKMT2A
SCHEMBL30883820 0.78 CYP1A2 (0.44) CYP2C19CYP1A2CYP2D6MAPTKMT2A

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 10 patents. 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
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
WO-2013174781-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-11-28 WO 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-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES BACE1, BACE2, PSEN1 KCNN4 3568/4885KCNE1 3002/4885KCNQ1 3303/4885
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS BACE1, BACE2, PSEN1 KCNN4 4158/4885KCNE1 2727/4885KCNQ1 2851/4885

“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.