SCHEMBL18656205

SCHEMBL18656205

NC(CCCNC(=O)CCS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.59
NOD1 Q9Y239 2/20 0.50
DDAH1 O94760 1/20 0.44
GSR P00390 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL9922798 0.95 OTC (0.54) OTCNOD1DDAH1GSRHDAC3
SCHEMBL18643429 0.95 OTC (0.54) OTCNOD1DDAH1GSRHDAC3
SCHEMBL12801715 0.95 OTC (0.54) OTCNOD1DDAH1GSRHDAC3
SCHEMBL4480340 0.87 OTC (0.53) OTCNOD1DDAH1GSRHDAC3
SCHEMBL19733064 0.87 OTC (0.53) OTCNOD1DDAH1GSRHDAC3
SCHEMBL2236944 0.84 OTC (0.61) OTCNOD1DDAH1GSRGRM8
SCHEMBL2236948 0.84 OTC (0.61) OTCNOD1DDAH1GSRGRM8
SCHEMBL16860728 0.83 NOD1 (0.60) OTCNOD1DDAH1GSR
SCHEMBL18229133 0.83 OTC (0.59) OTCNOD1DDAH1GSRGRM8
SCHEMBL16860748 0.83 NOD1 (0.60) OTCNOD1DDAH1GSR

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-20170080006-A1 METHODS AND COMPOSITIONS FOR REVERSING DISRUPTION OF THE GLYCOCALYX, INFLAMMATION, AND OXIDATIVE DAMAGE KARDIATONOS, INC. (US) 2017-03-23 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-20170080006-A1 METHODS AND COMPOSITIONS FOR REVERSING DISRUPTION OF THE GLYCOCALYX, INFLAMMATION, AND OXIDATIVE DAMAGE MPO, VCAM1, NOX4 OTC 520/4885NOD1 188/4885DDAH1 3233/4885

“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.