Sugi Predict

Sugi Predict / Compounds / SCHEMBL4074709

SCHEMBL4074709

SCHEMBL4074709

COc1ncc(Br)cc1[C@]1(C)CCSC(NC(=O)OC(C)(C)C)=N1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 17/20 0.47
▸ APP P05067 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ RORC P51449 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
SCHEMBL4078989 0.89 BACE1 (0.52) BACE1BACE2
SCHEMBL20469456 0.87 BACE1 (0.44) BACE1APPBACE2
SCHEMBL17004572 0.80 BACE1 (0.43) BACE1APPAAK1BACE2RORC
SCHEMBL3186931 0.80 BACE1 (0.45) BACE1BACE2
SCHEMBL3186920 0.80 BACE1 (0.45) BACE1BACE2
SCHEMBL17004573 0.80 BACE1 (0.43) BACE1APPAAK1BACE2RORC
SCHEMBL4082981 0.80 BACE1 (0.39) BACE1APPRORC
SCHEMBL17004592 0.78 BACE1 (0.46) BACE1APP
SCHEMBL13519507 0.78 BACE1 (0.46) BACE1APP
SCHEMBL3191096 0.77 BACE1 (0.40) BACE1BACE2

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
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 — — US disclosed
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 — — US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 — — US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 — — US disclosed
US-8541408-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2013-09-24 — — US disclosed
US-8507479-B2 — — 2013-08-13 — — US disclosed
US-8507479-B2 — — 2013-08-13 — — US disclosed
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2012-07-05 — — US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 — — US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 — — 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 (3 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-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 6/4885APP 1/4885AAK1 3071/4885
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 5/4885APP 1/4885AAK1 2826/4885
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 6/4885APP 1/4885AAK1 3071/4885

“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.