SCHEMBL25098677

SCHEMBL25098677

CC(C)C(=O)N[C@@H](CN1CCOCC1(C)C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
CTSS P25774 1/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 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
SCHEMBL25098955 1.00 PKM (0.32) PKMSMN1; SMN2ALDH1A1JAK2JAK1
SCHEMBL25098673 1.00 PKM (0.32) PKMSMN1; SMN2ALDH1A1JAK2JAK1
SCHEMBL25098672 0.88 TP53 (0.32) PKMSMN1; SMN2ALDH1A1TP53MDM2
SCHEMBL25098776 0.77 ALDH1A1 (0.50) PKMSMN1; SMN2ALDH1A1TP53
SCHEMBL25098444 0.77 ALDH1A1 (0.50) PKMSMN1; SMN2ALDH1A1TP53
SCHEMBL25099115 0.77 ALDH1A1 (0.50) PKMSMN1; SMN2ALDH1A1TP53
SCHEMBL2230808 0.73 USP2 (0.35) ALDH1A1TP53MDM2
SCHEMBL21028208 0.72 PIK3CD (0.31) ALDH1A1
SCHEMBL25099153 0.71 PIK3CD (0.38) SMN1; SMN2ALDH1A1JAK2
SCHEMBL24369250 0.71 PIK3CD (0.38) SMN1; SMN2ALDH1A1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 US 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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 PKM 1202/4885SMN1; SMN2 3045/4885ALDH1A1 1472/4885

“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.