SCHEMBL31368099

SCHEMBL31368099

C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
HRH3 Q9Y5N1 1/20 0.36
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
BTK Q06187 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21465758 0.84 MAPK1 (0.40) MAPK1HRH3NFKB1NFKB2RELA
SCHEMBL1298062 0.75 HRH3 (0.43) MAPK1HRH3NFKB1NFKB2RELA
SCHEMBL321152 0.74 MAPK1 (0.44) MAPK1HRH3NFKB1NFKB2RELA
SCHEMBL14169266 0.74 MAPK1 (0.41) MAPK1HRH3BTKCHRM2CHRM1
SCHEMBL8772002 0.73 MAPK1 (0.38) MAPK1HRH3NFKB1NFKB2RELA
SCHEMBL186721 0.71 HRH3 (0.51) MAPK1HRH3BTKCHRM2CHRM1
SCHEMBL28492122 0.71 HRH3 (0.51) MAPK1HRH3BTKCHRM2CHRM1
SCHEMBL1295721 0.71 HRH3 (0.51) MAPK1HRH3BTKCHRM2CHRM1
SCHEMBL11013935 0.70 MAPK1 (0.42) MAPK1NFKB1NFKB2RELACHRM2
SCHEMBL17446122 0.70 MAPK1 (0.39) MAPK1HRH3NFKB1NFKB2RELA

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 MAPK1 1/4885HRH3 2892/4885NFKB1 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.