SCHEMBL13199728

SCHEMBL13199728

C[C@@H](NC(=O)OCc1ccccc1)C(N)=S

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.56
CTSS P25774 4/20 0.56
CTSL P07711 3/20 0.56
CTSB P07858 2/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
CTRB1 P17538 2/20 0.52
ELANE P08246 1/20 0.52
TPSAB1 Q15661 2/20 0.51
PLG P00747 1/20 0.51
PRSS1 P07477 1/20 0.51

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
SCHEMBL12590839 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBATM
SCHEMBL29504873 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBATM
SCHEMBL3315212 0.88 CTSK (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL591894 0.88 CTSK (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL591895 0.88 CTSK (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL2627373 0.88 CTSK (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL939737 0.86 MAPT (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL5412160 0.86 MAPT (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL7674223 0.86 MAPT (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL16828812 0.86 CTSL (0.58) CTSKCTSSCTSLCTSBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-12-07 US disclosed
EP-4236938-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-06 EP disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 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-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 CTSK 1176/4885CTSS 1052/4885CTSL 2257/4885

“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.