SCHEMBL166321

SCHEMBL166321

CCC[C@H](N)C(=O)OCCO[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
PTGS1 P23219 2/20 0.39
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NOD1 Q9Y239 1/20 0.33
SLC15A1 P46059 1/20 0.33
GRIK1 P39086 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33

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
SCHEMBL166023 1.00 PTGS2 (0.39) PTGS2PTGS1CA1CA2HDAC3
SCHEMBL168158 0.90 CA12 (0.42) PTGS2CA1CA2HDAC3HDAC4
SCHEMBL169591 0.90 CA12 (0.42) PTGS2CA1CA2HDAC3HDAC4
SCHEMBL16124768 0.82 PTGS2 (0.35) PTGS2PTGS1NOD1
SCHEMBL15359687 0.81 NOD1 (0.46) PTGS2CA1CA2NOD1SLC15A1
Norvaline SCHEMBL166373 0.81 SLC1A2 (0.41) HDAC1HDAC2GRIK1SLC1A3SLC1A2
SCHEMBL13397028 0.78 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL13396467 0.78 GRM8 (0.41) PTGS2PTGS1CA2NOD1GRIK1
SCHEMBL453102 0.78 SLC1A2 (0.41) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL1096747 0.78 SLC1A2 (0.41) CA1CA2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170105959-A1 COMPOSITIONS CONTAINING NITRIC OXIDE AMINO ACID ESTERS AND METHODS FOR IMPROVING SEXUAL PERFORMANCE SMARTEK INTERNATIONAL, INC. 2017-04-20 US disclosed
WO-2012027827-A1 NITRIC OXIDE AMINO ACID ESTERS FOR SKIN REJUVENATION ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-03-08 WO disclosed
WO-2012027827-A1 NITRIC OXIDE AMINO ACID ESTERS FOR SKIN REJUVENATION ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-03-08 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-20170105959-A1 COMPOSITIONS CONTAINING NITRIC OXIDE AMINO ACID ESTERS AND METHODS FOR IMPROVING SEXUAL PERFORMANCE NOS1, NOS2, NOS3 PTGS2 734/4885PTGS1 358/4885CA1 2920/4885

“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.