SCHEMBL248651

SCHEMBL248651

CC(C)CC(CC=O)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PLA2G10 O15496 3/20 0.35
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
MAPT P10636 1/20 0.34
FOLH1 Q04609 2/20 0.33
CPA1 P15085 2/20 0.32

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
SCHEMBL26965384 1.00 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2ACYP2D6
SCHEMBL15511096 0.81 CYP2D6 (0.42) CYP2D6CYP2C19MAPT
SCHEMBL2086407 0.79 CA12 (0.38) LMNA
SCHEMBL27651567 0.77 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2ACYP2D6
SCHEMBL16329867 0.77 TAS1R3 (0.44) ALDH1A1LMNAMEN1KMT2ACYP2D6
SCHEMBL25291547 0.77 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2ACYP2D6
SCHEMBL3306198 0.77 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2ACYP2D6
SCHEMBL3374592 0.75 AAK1 (0.49) CYP2D6
SCHEMBL24387777 0.75 AAK1 (0.49) CYP2D6
SCHEMBL9735086 0.75 CACNA2D1 (0.45) ALDH1A1LMNAMEN1KMT2ACYP2D6

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-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2023-12-21 US disclosed
WO-2012000608-A2 NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES GLUESENKAMP KARL-HEINZ (DE) 2012-01-05 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-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS ALDH1A1 1457/4885LMNA 2655/4885MEN1 411/4885

“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.