SCHEMBL18636675

SCHEMBL18636675

C[C@H]1SC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)=N[C@](C)(c2cc([N+](=O)[O-])ccc2F)C12CC(F)(F)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.42
BACE2 Q9Y5Z0 5/20 0.35
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AKR1B1 P15121 1/20 0.31
DRD2 P14416 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL18636673 0.87 BACE1 (0.47) BACE1BACE2
SCHEMBL4083524 0.81 BACE1 (0.38) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL4078985 0.81 BACE1 (0.39) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL18623909 0.80 BACE1 (0.45) BACE1BACE2ALDH1A1HTTL3MBTL1
SCHEMBL18636959 0.80 BACE1 (0.41) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL18636674 0.79 BACE1 (0.61) BACE1BACE2
SCHEMBL17169022 0.79 BACE1 (0.57) BACE1BACE2ALDH1A1HTTLMNA
SCHEMBL2109485 0.74 BACE2 (0.40) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL6890355 0.73 BACE2 (0.40) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL15934114 0.71 BACE1 (0.47) BACE1BACE2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-03-16 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-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885ALDH1A1 1285/4885

“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.