SCHEMBL5408401

SCHEMBL5408401

COC(=O)CC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
ACE P12821 1/20 0.54
APP P05067 4/20 0.54
CTSS P25774 4/20 0.53
CTSK P43235 3/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CYP3A4 P08684 4/20 0.50
KLK5 Q9Y337 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
AGTR1 P30556 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL23168374 1.00 ATM (0.65) ATMACEAPPCTSSCTSK
SCHEMBL5408407 1.00 ATM (0.65) ATMACEAPPCTSSCTSK
SCHEMBL5411660 0.91 ATM (0.67) ATMACEAPPCTSSCTSK
SCHEMBL5744538 0.91 ATM (0.67) ATMACEAPPCTSSCTSK
SCHEMBL5411669 0.91 ATM (0.67) ATMACEAPPCTSSCTSK
SCHEMBL15159951 0.90 ATM (0.73) ATMACEAPPCTSSCTSK
SCHEMBL5744515 0.90 ATM (0.60) ATMACEAPPCTSSCTSK
SCHEMBL5742902 0.90 ATM (0.60) ATMACEAPPCTSSCTSK
SCHEMBL28404855 0.88 ATM (0.64) ATMACEAPPCTSSCTSK
SCHEMBL23168375 0.88 ATM (0.64) ATMACEAPPCTSSCTSK

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-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 ATM 2145/4885ACE 2817/4885APP 1184/4885

“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.