SCHEMBL6157856

SCHEMBL6157856

O=C(N[C@@H](CCCCO)C(=O)OCc1ccccc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.61
▸ HDAC2 Q92769 2/20 0.61
▸ IDO1 P14902 1/20 0.48
▸ MDM4 O15151 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MDM2 Q00987 4/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ TNF P01375 1/20 0.46

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
SCHEMBL6159625 1.00 HDAC1 (0.61) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL6157861 1.00 HDAC1 (0.61) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL29984836 0.97 HDAC1 (0.60) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL13561436 0.97 HDAC1 (0.60) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL28764653 0.97 HDAC1 (0.60) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL30711879 0.97 HDAC1 (0.60) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL392598 0.92 HDAC1 (0.57) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL377964 0.92 HDAC1 (0.57) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL15982313 0.92 HDAC1 (0.57) HDAC1HDAC2IDO1MDM4TP53
SCHEMBL29555721 0.92 HDAC1 (0.57) HDAC1HDAC2IDO1MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504094-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES Pharmacia Corporation (US) 2005-02-09 — — EP disclosed
EP-1504109-A1 METHOD FOR THE PRODUCTION OF LACTIC ACID OR A SALT THEREOF BY SIMULTANEOUS SACCHARIFICATION AND FERMENTATION OF STARCH Purac Biochem BV (NL) 2005-02-09 — — EP disclosed
US-20040018561-A1 Peptide compounds and their use as protease substrates PHARMACIA CORPORATION 2004-01-29 — — US disclosed
WO-2003095475-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES PHARMACIA CORPORATION (US) 2003-11-20 — — WO disclosed
WO-2003095659-A1 METHOD FOR THE PRODUCTION OF LACTIC ACID OR A SALT THEREOF BY SIMULTANEOUS SACCHARIFICATION AND FERMENTATION OF STARCH PURAC BIOCHEM B.V. (NL) 2003-11-20 — — WO 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-20040018561-A1 Peptide compounds and their use as protease substrates MMP3, MMP25, MMP11 HDAC1 1031/4885HDAC2 2428/4885IDO1 927/4885

“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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