SCHEMBL19733545

SCHEMBL19733545

CC(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)CC(C)C2=O)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.41
▸ MAP1LC3B Q9GZQ8 2/20 0.40
▸ SIRT2 Q8IXJ6 7/20 0.35
▸ SIRT1 Q96EB6 5/20 0.35
▸ SIRT3 Q9NTG7 3/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ NPY4R P50391 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ FURIN P09958 2/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.34
▸ OPRL1 P41146 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
SCHEMBL13477994 1.00 FAP (0.41) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL18177084 1.00 FAP (0.41) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL16904950 1.00 FAP (0.41) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL19522921 1.00 FAP (0.41) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL22624856 0.99 FAP (0.40) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL22970116 0.97 MAP1LC3B (0.40) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL17210030 0.95 FAP (0.41) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL24438134 0.95 FAP (0.41) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL21131517 0.95 FAP (0.41) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL16730795 0.95 FAP (0.41) FAPMAP1LC3BSIRT2SIRT1SIRT3

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-20170360952-A1 BIOMOLECULE CONJUGATES CELGENE CORPORATION 2017-12-21 — — 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-20170360952-A1 BIOMOLECULE CONJUGATES DNPEP, NAPA, NCL FAP 1204/4885MAP1LC3B 3279/4885SIRT2 3115/4885

“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.

Send feedback