SCHEMBL2569798

SCHEMBL2569798

NCCCC[C@H](NC(=O)c1ccccc1)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.67
PADI1 Q9ULC6 5/20 0.62
PADI4 Q9UM07 5/20 0.62
PADI2 Q9Y2J8 4/20 0.62
PDE4A P27815 3/20 0.62
PADI3 Q9ULW8 3/20 0.62
PDE4B Q07343 2/20 0.62
PDE4C Q08493 2/20 0.62
PDE4D Q08499 2/20 0.62
PADI6 Q6TGC4 1/20 0.62
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA9 Q16790 1/20 0.54
CTSB P07858 1/20 0.53
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
ROCK2 O75116 1/20 0.52
PRSS1 P07477 2/20 0.51

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
SCHEMBL28281357 1.00 HPGDS (0.67) HPGDSPADI1PADI4PADI2PDE4A
SCHEMBL13697775 0.92 HPGDS (0.71) HPGDSPADI1PADI4PADI2PDE4A
SCHEMBL607886 0.89 ITGB3 (0.60) HPGDSPADI1PADI4PADI2PDE4A
SCHEMBL607885 0.89 ITGB3 (0.60) HPGDSPADI1PADI4PADI2PDE4A
SCHEMBL1226872 0.87 HPGDS (0.65) HPGDSPADI1PADI4PADI2PDE4A
SCHEMBL7293567 0.87 HPGDS (0.52) HPGDSPADI1PADI4PADI2PDE4A
SCHEMBL7411072 0.85 CTSB (0.57) HPGDSCTSBITGB3ITGA2BGRIN1
SCHEMBL27544597 0.85 CTSB (0.57) HPGDSCTSBITGB3ITGA2BGRIN1
SCHEMBL4181143 0.85 PADI1 (0.62) HPGDSPADI1PADI4PADI2PDE4A
SCHEMBL1980652 0.84 ITGB3 (0.57) HPGDSPADI1PADI4PADI2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1038103-A The glutaramide diuretic agents of cycloalkyl substituted and its preparation method PFIZER (US) 1989-12-20 CN claimed
US-8580534-B2 Method for incorporation of two oxygen atoms into digested peptides using peptidases THE UNIVERSITY OF NORTH DAKOTA (US) 2013-11-12 US disclosed
EP-1551864-B1 Substrates for detection of TAFI(a) DSM IP ASSETS BV (NL) 2011-11-09 EP disclosed
US-7718406-B2 Substrates for TAFI (A) DSM IP ASSETS B.V. (NL) 2010-05-18 US disclosed
US-20080032322-A1 Method for incorporation of two oxygen atoms into digested peptides using peptidases UNIVERSITY OF NORTH DAKOTA (US) 2008-02-07 US disclosed
US-20060068457-A1 Substrates for tafi (a) PENTAPHARM AG (CH) 2006-03-30 US disclosed
EP-1551864-A1 SUBSTRATE FOR TAFI (A) Pentapharm AG (CH) 2005-07-13 EP disclosed
WO-2004031216-A1 SUBSTRATE FOR TAFI (A) PENTAPHARM AG (CH) 2004-04-15 WO disclosed
EP-0367302-A2 Process for semi-synthesis of human insulin, water-soluble cross-linked Achromobacter protease I for use therein and a process for preparing the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1990-05-09 EP disclosed
EP-0092829-A2 Process for semi-synthesis of human insulin and alkaline protease for use therein WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1983-11-02 EP 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-20060068457-A1 Substrates for tafi (a) TFPI, TFPI2, FGB HPGDS 1703/4885PADI1 162/4885PADI4 155/4885

“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.