SCHEMBL12568288

SCHEMBL12568288

Cc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 8/20 0.37
▸ HTT P42858 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MAP1LC3B Q9GZQ8 2/20 0.35
▸ FAP Q12884 3/20 0.35
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ NPY4R P50391 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL12629537 1.00 FURIN (0.37) FURINHTTROCK2HDAC3HDAC1
SCHEMBL9943154 0.92 FURIN (0.46) FURINHTTROCK2MAP1LC3BFAP
SCHEMBL13002105 0.92 FURIN (0.39) FURINROCK2MAP1LC3BFAPNPY1R
SCHEMBL10270090 0.92 FURIN (0.39) FURINROCK2MAP1LC3BFAPNPY1R
SCHEMBL30697716 0.92 FURIN (0.40) FURINHTTROCK2MAP1LC3BFAP
SCHEMBL19982142 0.89 MAP1LC3B (0.41) MAP1LC3BFAP
SCHEMBL16925417 0.89 MAP1LC3B (0.42) FURINMAP1LC3BFAP
SCHEMBL13884204 0.88 MAP1LC3B (0.38) FURINROCK2MAP1LC3BFAPNPY1R
SCHEMBL26009307 0.88 MAP1LC3B (0.40) FURINHTTMAP1LC3BFAP
SCHEMBL26008568 0.88 MAP1LC3B (0.40) FURINHTTMAP1LC3BFAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964566-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2011-06-21 — — US disclosed
US-7964566-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2011-06-21 — — US disclosed
US-20080248053-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-10-09 — — US disclosed
US-20080248053-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-10-09 — — US disclosed
US-20080248051-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-10-09 — — US disclosed
US-20080248051-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-10-09 — — 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 (2 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-20080248053-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases MMAB, CAD, VIM FURIN 273/4885HTT 4041/4885ROCK2 2212/4885
US-20080248051-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases MMAB, CAD, VIM FURIN 273/4885HTT 4041/4885ROCK2 2212/4885

“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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