SCHEMBL13893442

SCHEMBL13893442

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(N=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.45
▸ MAP1LC3B Q9GZQ8 2/20 0.39
▸ FURIN P09958 4/20 0.38
▸ SIRT2 Q8IXJ6 7/20 0.34
▸ SIRT1 Q96EB6 5/20 0.34
▸ SIRT3 Q9NTG7 3/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ NPY4R P50391 1/20 0.34
▸ NPY5R Q15761 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
SCHEMBL12672688 1.00 FAP (0.45) FAPMAP1LC3BFURINSIRT2SIRT1
SCHEMBL21235079 1.00 FAP (0.45) FAPMAP1LC3BFURINSIRT2SIRT1
SCHEMBL24823239 0.94 FAP (0.47) FAPMAP1LC3BFURINSIRT2SIRT1
SCHEMBL27406908 0.94 FAP (0.46) FAPMAP1LC3BFURINSIRT2SIRT1
SCHEMBL24622056 0.93 FAP (0.49) FAPMAP1LC3BFURINSIRT2SIRT1
SCHEMBL24622057 0.93 FAP (0.49) FAPMAP1LC3BFURINSIRT2SIRT1
SCHEMBL28365735 0.91 FAP (0.48) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL17178689 0.91 FAP (0.44) FAPMAP1LC3BFURINSIRT2SIRT1
SCHEMBL3798438 0.91 FAP (0.44) FAPMAP1LC3BFURINSIRT2SIRT1
SCHEMBL18391329 0.91 FAP (0.44) FAPMAP1LC3BFURINSIRT2SIRT1

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-20090111756-A1 Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus SEATTLE GENECTICS, INC. (US) 2009-04-30 — — 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-20090111756-A1 Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus MMAB, PTMS, CAD FAP 570/4885MAP1LC3B 322/4885FURIN 266/4885

“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.

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