SCHEMBL24540901

SCHEMBL24540901

CNC(=O)[C@H](NC(O)C(C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)CC(C)C)cc1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.36
SIRT1 Q96EB6 9/20 0.36
BACE1 P56817 2/20 0.35
SIRT3 Q9NTG7 4/20 0.34
SIRT5 Q9NXA8 3/20 0.34
FAP Q12884 1/20 0.34
HTT P42858 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPY4R P50391 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL24774254 0.89 FAP (0.39) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL24584968 0.89 FAP (0.39) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL26140860 0.89 FAP (0.39) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL23189216 0.89 FAP (0.39) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL17706450 0.86 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL25564468 0.85 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY1R
SCHEMBL26560488 0.84 FAP (0.39) SIRT2SIRT1BACE1SIRT3SIRT5
SCHEMBL25564601 0.81 FAP (0.37) SIRT2SIRT1BACE1SIRT3SIRT5
SCHEMBL21205432 0.81 SIRT2 (0.48) SIRT2SIRT1SIRT3SIRT5
SCHEMBL24774260 0.81 SIRT2 (0.35) SIRT2SIRT1SIRT3SIRT5FAP

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-20220193251-A1 CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-23 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-20220193251-A1 CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF TUBB6, GALNT10, TUBB SIRT2 4341/4885SIRT1 4418/4885BACE1 2881/4885

“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.