SCHEMBL24330403

SCHEMBL24330403

COC(=O)C1CCC(N[C@@H](CO)CC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 1/20 0.36
ALDH1A1 P00352 6/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
HTT P42858 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL24331021 0.82 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL26825517 0.82 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL26841057 0.77 BTK (0.43) GAAL3MBTL1
SCHEMBL24330406 0.75 HPGDS (0.31)
SCHEMBL24332147 0.75
SCHEMBL12176731 0.72 POLB (0.47) SMN1; SMN2TP53ALDH1A1POLBGAA
SCHEMBL23015696 0.72 POLB (0.47) SMN1; SMN2TP53ALDH1A1POLBGAA
Hydrochloric Acid SCHEMBL14659854 0.71 POLB (0.46) SMN1; SMN2TP53ALDH1A1POLBGAA
Hydrochloric Acid SCHEMBL14659855 0.71 POLB (0.46) SMN1; SMN2TP53ALDH1A1POLBGAA
SCHEMBL2948892 0.69 TP53 (0.56) SMN1; SMN2TP53ALDH1A1POLBGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-30 US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
WO-2022076620-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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 (2 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-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SMN1; SMN2 4833/4885TP53 3017/4885ALDH1A1 4032/4885
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SMN1; SMN2 4827/4885TP53 2869/4885ALDH1A1 4121/4885

“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.