SCHEMBL6327664

SCHEMBL6327664

CC(NC(=O)OCc1ccccc1)C(=S)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.53
CTSK P43235 5/20 0.52
CTSL P07711 3/20 0.52
CTSB P07858 3/20 0.52
CYP1A2 P05177 1/20 0.49
CTSS P25774 1/20 0.49
ATM Q13315 1/20 0.48
OPRK1 P41145 3/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 1/20 0.47
DPP4 P27487 1/20 0.47
KCNH2 Q12809 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 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
SCHEMBL9510128 0.87 CTSB (0.62) PREPCTSKCTSLCTSBCTSS
SCHEMBL9510140 0.86 PREP (0.62) PREPCTSKCTSLCTSBCYP1A2
SCHEMBL10679399 0.82 PREP (0.53) PREPCTSKCTSLCTSBCYP1A2
SCHEMBL29925751 0.81 PREP (0.54) PREPCTSKCTSLCTSBCYP1A2
SCHEMBL11254461 0.81 PREP (0.61) PREPCTSKCTSLCTSBCYP1A2
SCHEMBL8206101 0.81 PREP (0.61) PREPCTSKCTSLCTSBCYP1A2
SCHEMBL11261467 0.81 PREP (0.61) PREPCTSKCTSLCTSBCYP1A2
SCHEMBL8206098 0.81 PREP (0.61) PREPCTSKCTSLCTSBCYP1A2
SCHEMBL3315212 0.80 CTSK (0.59) CTSKCTSLCTSBCYP1A2CTSS
SCHEMBL9511304 0.80 PREP (0.55) PREPCTSKCTSLCTSBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849650-B2 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-02-01 US disclosed
US-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THORSETT EUGENE D (US) 2003-07-10 US disclosed
US-6506782-B1 Compounds which inhibit beta -amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits beta ATHENA NEUROSCIENCES, INC. 2003-01-14 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-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, BACE1, IAPP PREP 51/4885CTSK 273/4885CTSL 806/4885

“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.