SCHEMBL26560488

SCHEMBL26560488

CC(C)CC(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)N(C)[C@@H](C(=O)N[C@@H](C(=O)N(C)C)C(C)C)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAP Q12884 1/20 0.39
SIRT2 Q8IXJ6 9/20 0.37
SIRT1 Q96EB6 8/20 0.37
BACE1 P56817 2/20 0.37
SIRT3 Q9NTG7 4/20 0.35
SIRT5 Q9NXA8 3/20 0.35
FOLH1 Q04609 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 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
SCHEMBL24095912 0.94 FAP (0.40) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL24774254 0.93 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL24584968 0.93 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL23189216 0.93 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL26140860 0.93 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL25564557 0.92 FAP (0.38) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL17706450 0.91 SIRT2 (0.41) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL21082516 0.90 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL25833845 0.90 FAP (0.40) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL25564601 0.90 FAP (0.37) FAPSIRT2SIRT1BACE1SIRT3

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-20230330258-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY TUBULIS GMBH (DE) 2023-10-19 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-20230330258-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY CALCR, BCR, PTH1R FAP 699/4885SIRT2 4769/4885SIRT1 4529/4885

“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.