SCHEMBL10270090

SCHEMBL10270090

CC(C)[C@H](NC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 7/20 0.39
▸ MAP1LC3B Q9GZQ8 2/20 0.37
▸ NPY5R Q15761 4/20 0.37
▸ NPY4R P50391 4/20 0.37
▸ NPY1R P25929 3/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ FAP Q12884 3/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGA5 P08648 1/20 0.35

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
SCHEMBL13002105 1.00 FURIN (0.39) FURINMAP1LC3BNPY5RNPY4RNPY1R
SCHEMBL30697716 0.99 FURIN (0.40) FURINMAP1LC3BNPY5RNPY4RNPY1R
SCHEMBL9943154 0.94 FURIN (0.46) FURINMAP1LC3BNPY5RNPY4RNPY1R
SCHEMBL12629537 0.92 FURIN (0.37) FURINMAP1LC3BNPY5RNPY4RNPY1R
SCHEMBL12568288 0.92 FURIN (0.37) FURINMAP1LC3BNPY5RNPY4RNPY1R
SCHEMBL16925417 0.90 MAP1LC3B (0.42) FURINMAP1LC3BFAP
SCHEMBL19982142 0.90 MAP1LC3B (0.41) MAP1LC3BFAP
SCHEMBL13884204 0.90 MAP1LC3B (0.38) FURINMAP1LC3BNPY5RNPY4RNPY1R
SCHEMBL26009307 0.89 MAP1LC3B (0.40) FURINMAP1LC3BFAP
SCHEMBL26008568 0.89 MAP1LC3B (0.40) FURINMAP1LC3BFAP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557780-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2013-10-15 — — US disclosed
US-20120003248-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-01-05 — — 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-20120003248-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM FURIN 410/4885MAP1LC3B 273/4885NPY5R 1587/4885

“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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