SCHEMBL27448207

SCHEMBL27448207

CN[C@H](C(=O)N[C@@H](C)C(=O)NCC(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP1 P03956 1/20 0.36
MMP8 P22894 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL23813893 0.84 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL23813828 0.84 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL27445798 0.82
SCHEMBL23071956 0.81
SCHEMBL27447470 0.80 CYP2D6 (0.36) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL19201193 0.79 FFAR2 (0.32) MMP1
SCHEMBL19201191 0.79 FFAR2 (0.32) MMP1
SCHEMBL12895022 0.78 CYP2D6 (0.52) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL23813895 0.78
SCHEMBL27376558 0.77 ELANE (0.33) MMP1MMP8

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-12029736-B2 Camptothecin derivatives and conjugates thereof MEDIBOSTON LIMITED (HK) 2024-07-09 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-12029736-B2 Camptothecin derivatives and conjugates thereof TOP2A, TOP1, XPA CYP2D6 1898/4885CYP2C19 1974/4885MMP1 3910/4885

“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.