SCHEMBL3799997

SCHEMBL3799997

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
KLK5 Q9Y337 3/20 0.57
APP P05067 5/20 0.53
PSEN1 P49768 3/20 0.52
PSEN2 P49810 3/20 0.52
APH1B Q8WW43 3/20 0.52
NCSTN Q92542 3/20 0.52
APH1A Q96BI3 3/20 0.52
PSENEN Q9NZ42 3/20 0.52
CTSS P25774 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
ACE P12821 1/20 0.47
REN P00797 1/20 0.47
BACE1 P56817 1/20 0.47

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
SCHEMBL6010398 1.00 ATM (0.60) ATMKLK5APPPSEN1PSEN2
SCHEMBL3799999 1.00 ATM (0.60) ATMKLK5APPPSEN1PSEN2
SCHEMBL7301095 0.95 ATM (0.62) ATMKLK5APPPSEN1PSEN2
SCHEMBL7270247 0.95 ATM (0.62) ATMKLK5APPPSEN1PSEN2
SCHEMBL7299571 0.95 ATM (0.62) ATMKLK5APPPSEN1PSEN2
SCHEMBL7305946 0.95 ATM (0.62) ATMKLK5APPPSEN1PSEN2
SCHEMBL3805577 0.94 ATM (0.55) ATMKLK5APPPSEN1PSEN2
SCHEMBL3805582 0.94 ATM (0.55) ATMKLK5APPPSEN1PSEN2
SCHEMBL3800024 0.90 CYP3A4 (0.56) ATMKLK5APPPSEN1PSEN2
SCHEMBL3798830 0.90 CYP3A4 (0.56) ATMKLK5APPPSEN1PSEN2

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-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP 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-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP ATM 4055/4885KLK5 305/4885APP 688/4885

“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.