SCHEMBL9943154

SCHEMBL9943154

CCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 6/20 0.46
▸ HTT P42858 1/20 0.38
▸ FAP Q12884 5/20 0.37
▸ MAP1LC3B Q9GZQ8 2/20 0.37
▸ NPY5R Q15761 4/20 0.37
▸ NPY1R P25929 3/20 0.37
▸ NPY4R P50391 3/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ CTSL P07711 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
SCHEMBL10270090 0.94 FURIN (0.39) FURINFAPMAP1LC3BNPY5RNPY1R
SCHEMBL13002105 0.94 FURIN (0.39) FURINFAPMAP1LC3BNPY5RNPY1R
SCHEMBL30697716 0.93 FURIN (0.40) FURINHTTFAPMAP1LC3BNPY5R
SCHEMBL12629537 0.92 FURIN (0.37) FURINHTTFAPMAP1LC3BNPY5R
SCHEMBL12568288 0.92 FURIN (0.37) FURINHTTFAPMAP1LC3BNPY5R
SCHEMBL19982142 0.90 MAP1LC3B (0.41) FAPMAP1LC3B
SCHEMBL16925417 0.90 MAP1LC3B (0.42) FURINFAPMAP1LC3B
SCHEMBL13884204 0.90 MAP1LC3B (0.38) FURINFAPMAP1LC3BNPY5RNPY1R
SCHEMBL26008568 0.89 MAP1LC3B (0.40) FURINHTTFAPMAP1LC3B
SCHEMBL26009307 0.89 MAP1LC3B (0.40) FURINHTTFAPMAP1LC3B

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-20120148608-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-06-14 — — 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-20120148608-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM FURIN 410/4885HTT 3676/4885FAP 2453/4885

“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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