SCHEMBL2628504

SCHEMBL2628504

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)c(OC(F)F)c1)[C@@H](CO)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
BACE1 P56817 3/20 0.35
KLK5 Q9Y337 2/20 0.35
CTSS P25774 4/20 0.34
CTSK P43235 4/20 0.34
CACNA1H O95180 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
CTSB P07858 1/20 0.33
CTSL P07711 1/20 0.33
JAK2 O60674 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 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
SCHEMBL2079240 0.90 BACE1 (0.34) BACE1CACNA1HALDH1A1HTTLMNA
SCHEMBL5139796 0.90 BACE1 (0.34) BACE1CACNA1HALDH1A1HTTLMNA
SCHEMBL12619106 0.79 FAAH (0.36) PTPN1KLK5CTSSCTSKCTSB
SCHEMBL2628499 0.79 CYP3A4 (0.43) BACE1HPGDNPSR1
SCHEMBL15304448 0.79 CYP3A4 (0.43) BACE1HPGDNPSR1
SCHEMBL8252975 0.72 GRM2 (0.44)
SCHEMBL7426537 0.72 CTSS (0.47) KLK5CTSSCTSKJAK2ALDH1A1
SCHEMBL7426534 0.72 CTSS (0.47) KLK5CTSSCTSKJAK2ALDH1A1
SCHEMBL14792670 0.71 CA1 (0.42) CTSSCTSKALDH1A1NPSR1HSD17B10
SCHEMBL3577732 0.71 CTSS (0.42) BACE1CTSSCTSKJAK2ALDH1A1

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-8163909-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 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-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP PTPN1 4527/4885BACE1 1/4885KLK5 2281/4885

“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.