SCHEMBL31368050

SCHEMBL31368050

CN1C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.41
USP30 Q70CQ3 1/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM1A O60341 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BTK Q06187 1/20 0.38
GAA P10253 2/20 0.37
CYP2C9 P11712 1/20 0.35
HSD11B1 P28845 1/20 0.35
SSTR4 P31391 3/20 0.35
SSTR1 P30872 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL24928082 1.00 CTSK (0.41) CTSKUSP30NFKB1NFKB2RELA
SCHEMBL24928078 1.00 CTSK (0.41) CTSKUSP30NFKB1NFKB2RELA
SCHEMBL4641612 0.88 CTSK (0.46) CTSKNFKB1NFKB2RELAKDM1A
SCHEMBL4641615 0.88 CTSK (0.46) CTSKNFKB1NFKB2RELAKDM1A
SCHEMBL4641603 0.88 CTSK (0.46) CTSKNFKB1NFKB2RELAKDM1A
SCHEMBL18909588 0.86 CTSK (0.45) CTSKUSP30NFKB1NFKB2RELA
SCHEMBL28826192 0.86 SSTR4 (0.47) CTSKNFKB1NFKB2RELACA1
SCHEMBL14908035 0.83 CTSK (0.43) CTSKUSP30NFKB1NFKB2RELA
SCHEMBL14908041 0.83 CTSK (0.43) CTSKUSP30NFKB1NFKB2RELA
SCHEMBL23260090 0.83 CTSK (0.40) CTSKUSP30NFKB1NFKB2RELA

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-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-03-20 US disclosed
WO-2025037229-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS AG (CH) 2025-02-20 WO 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-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK MAPK1, MAP3K1, MAPK6 CTSK 1188/4885USP30 2341/4885NFKB1 248/4885

“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.