SCHEMBL31407433

SCHEMBL31407433

CC(C)(C)OC(=O)N[C@@H](CCc1ccncc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.57
CTSS P25774 3/20 0.57
PPARA Q07869 9/20 0.49
PPARG P37231 8/20 0.49
ACE P12821 1/20 0.48
PPARD Q03181 2/20 0.47
CYP17A1 P05093 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ITGAV P06756 1/20 0.45
ITGB6 P18564 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
SCN9A Q15858 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL5797124 1.00 CTSK (0.57) CTSKCTSSPPARAPPARGACE
SCHEMBL31407663 0.92 CTSK (0.51) CTSKCTSSPPARAPPARGACE
SCHEMBL5814805 0.88 CTSK (0.53) CTSKCTSSPPARAPPARGACE
SCHEMBL181807 0.88 CTSK (0.71) CTSKCTSSPPARAPPARGACE
SCHEMBL181775 0.88 CTSK (0.71) CTSKCTSSPPARAPPARGACE
SCHEMBL181808 0.88 CTSK (0.71) CTSKCTSSPPARAPPARGACE
SCHEMBL17452235 0.87 CTSS (0.61) CTSKCTSSPPARAPPARGACE
SCHEMBL16658 0.86 ACE (0.62) CTSKCTSSPPARAPPARGACE
SCHEMBL478774 0.86 ACE (0.62) CTSKCTSSPPARAPPARGACE
SCHEMBL3338649 0.86 ACE (0.62) CTSKCTSSPPARAPPARGACE

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-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 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-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 CTSK 4661/4885CTSS 4022/4885PPARA 2794/4885

“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.