SCHEMBL25360604

SCHEMBL25360604

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CAPN1 P07384 1/20 0.36
RNPEP Q9H4A4 1/20 0.35
SLC7A5 Q01650 1/20 0.35
MAPT P10636 1/20 0.35
CTSS P25774 1/20 0.34
FOLH1 Q04609 2/20 0.33
CPA1 P15085 2/20 0.33
MME P08473 2/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 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
SCHEMBL25360600 1.00 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1LMNACYP2D6
SCHEMBL15613199 0.77 SLC7A5 (0.44) RNPEPSLC7A5
SCHEMBL2826479 0.76
SCHEMBL25360348 0.74 CTSK (0.51) CYP2D6CAPN1CTSS
SCHEMBL25360344 0.74 CTSK (0.51) CYP2D6CAPN1CTSS
SCHEMBL27122527 0.72 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1LMNACYP2D6
SCHEMBL26965381 0.72 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1LMNACYP2D6
SCHEMBL15969357 0.70
SCHEMBL6728949 0.70 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1LMNACYP2D6
SCHEMBL9109510 0.70

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-20230365587-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-16 US disclosed
EP-4225762-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 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-20230365587-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ALDH1A1 3967/4885KMT2A 4656/4885MEN1 4714/4885

“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.