SCHEMBL17453055

SCHEMBL17453055

COc1ccc(CN(C)S(C)(=N)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.62
▸ ACLY P53396 1/20 0.50
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PYCR1 P32322 1/20 0.46
▸ TAS2R14 Q9NYV8 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ AGXT P21549 1/20 0.43
▸ AOC3 Q16853 1/20 0.42

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
SCHEMBL11609 0.86 APLNR (0.71) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL24461223 0.81 APLNR (0.59) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL15094002 0.81 APLNR (0.59) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL18662141 0.81 APLNR (0.59) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL17453052 0.80 APLNR (0.58) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL13193241 0.78 APLNR (0.56) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL18662058 0.78 APLNR (0.56) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL27222358 0.78 APLNR (0.77) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL17453062 0.78 APLNR (0.55) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL14285692 0.77 TAS2R14 (0.64) APLNRALDH1A1TAS2R14ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968356-B1 S-IMINO-S-OXO IMINOTHIADIAZINE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2018-03-07 — — EP disclosed
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-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
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 APLNR 2974/4885ACLY 2962/4885HTT 299/4885

“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.

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