SCHEMBL31368058

SCHEMBL31368058

CCOC(=O)[C@H]1CC[C@H](NCc2ccccc2)C(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 3/20 0.43
PPID Q08752 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CCR8 P51685 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LTA4H P09960 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL18616977 0.77 PKM (0.49) PKMLMNAL3MBTL1MEN1KMT2A
SCHEMBL16612591 0.75 FUCA1 (0.42) MEN1KMT2A
SCHEMBL1848799 0.75 FUCA1 (0.47) PKMLMNAL3MBTL1MEN1KMT2A
SCHEMBL11219594 0.71 SMN1; SMN2 (0.47) PKMLMNAL3MBTL1MEN1KMT2A
SCHEMBL7312625 0.71 NPSR1 (0.68) PKMMEN1KMT2ANPSR1ALDH1A1
SCHEMBL4489378 0.70 CTSB (0.47) PKMNPSR1ALDH1A1PPIDHSD17B10
SCHEMBL13282255 0.70 CTSB (0.47) PKMNPSR1ALDH1A1PPIDHSD17B10
SCHEMBL7890595 0.70 CTSB (0.47) PKMNPSR1ALDH1A1PPIDHSD17B10
SCHEMBL5523733 0.70 L3MBTL1 (0.59) PKMLMNAL3MBTL1MEN1KMT2A
SCHEMBL5523736 0.70 L3MBTL1 (0.59) PKMLMNAL3MBTL1MEN1KMT2A

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 PKM 738/4885LMNA 3010/4885L3MBTL1 4353/4885

“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.