SCHEMBL25444547

SCHEMBL25444547

CC(S)[C@H]1CCC[C@@H](NC(=O)C2(O)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.35
CDK9 P50750 5/20 0.35
CCNT1 O60563 2/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
MME P08473 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
HPGD P15428 1/20 0.33
BTK Q06187 1/20 0.31
EPHX1 P07099 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 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
SCHEMBL25444116 0.88 KDM5A (0.36) KDM5ACDK9CCNT1CDK4CCND1
SCHEMBL25444136 0.88 KDM5A (0.36) KDM5ACDK9CCNT1CDK4CCND1
SCHEMBL23081198 0.88 KDM5A (0.36) KDM5ACDK9CCNT1CDK4CCND1
SCHEMBL23081357 0.82 EPHX1 (0.37) KDM5ACDK9CCNT1CDK4CCND1
SCHEMBL23119126 0.74 MME (0.36) CDK9MMEHPGDEPHX1
SCHEMBL23081202 0.73 EPHX1 (0.36) CDK9CCNT1CDK4CCND1CCNA2
SCHEMBL14748226 0.73 EPHX1 (0.54) HPGDEPHX1ALDH1A1
SCHEMBL14652117 0.72 KDM5A (0.38) KDM5AMMEHPGDBTK
SCHEMBL23119123 0.71 CDK9 (0.35) CDK9MMEHPGDEPHX1
SCHEMBL21984724 0.69 EPHX1 (0.48) HPGDEPHX1ALDH1A1TP53POLB

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-20230144528-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS, INCORPORATED 2023-05-11 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-20230144528-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK3, CDK9 KDM5A 462/4885CDK9 3/4885CCNT1 40/4885

“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.