SCHEMBL17453061

SCHEMBL17453061

CN1SC[C@@](C)(c2cc([N+](=O)[O-])ccc2F)N/C1=N\C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
THRB P10828 2/20 0.33
BACE1 P56817 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.32
WDR5 P61964 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL15895250 0.83 BACE2 (0.38) MAPTALDH1A1LMNABACE2THRB
SCHEMBL10328600 0.83 BACE2 (0.38) MAPTALDH1A1LMNABACE2THRB
SCHEMBL17453058 0.80 ALDH1A1 (0.32) MAPTALDH1A1LMNABACE2THRB
SCHEMBL10328608 0.79 BACE2 (0.36) MAPTALDH1A1LMNABACE2THRB
SCHEMBL15895222 0.79 BACE2 (0.36) MAPTALDH1A1LMNABACE2THRB
SCHEMBL10328606 0.79 BACE2 (0.36) MAPTALDH1A1LMNABACE2THRB
SCHEMBL17453064 0.79 BACE2 (0.36) MAPTALDH1A1LMNABACE2THRB
SCHEMBL17507404 0.78 ALDH1A1 (0.38) MAPTALDH1A1LMNABACE2BACE1
SCHEMBL29555774 0.78 ALDH1A1 (0.38) MAPTALDH1A1LMNABACE2BACE1
SCHEMBL19221126 0.77 BACE2 (0.39) MAPTALDH1A1LMNABACE2THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428476-B2 S-imino-S-oxo-iminothiadiazine compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
US-20160016923-A1 S-IMINO-S-OXO-IMINOTHIADIAZINE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-01-21 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 (1 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-20160016923-A1 S-IMINO-S-OXO-IMINOTHIADIAZINE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP MAPT 11/4885ALDH1A1 335/4885LMNA 1096/4885

“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.