SCHEMBL2187903

SCHEMBL2187903

CC(OC(=O)C(N)C(C)C)O[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.35

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
SCHEMBL28315993 0.76 SLC7A5 (0.41) SLC7A5
SCHEMBL29027401 0.75 SLC7A5 (0.39) SLC7A5
SCHEMBL17268516 0.74 TSHR (0.44)
SCHEMBL5987142 0.72 TSHR (0.42) SLC7A5
SCHEMBL7603101 0.72 TSHR (0.42) SLC7A5
SCHEMBL5986125 0.72 TSHR (0.42) SLC7A5
SCHEMBL17268547 0.71 CYP3A4 (0.39)
SCHEMBL4418153 0.71 LMNA (0.34)
SCHEMBL769573 0.71 SLC7A5 (0.48) SLC7A5
SCHEMBL769572 0.71 SLC7A5 (0.48) SLC7A5

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
US-9085508-B2 Nitric oxide releasing amino acid ester compound, composition and method of use ORAL DELIVERY TECHNOLOGY LTD. (US) 2015-07-21 US disclosed
US-9085528-B2 Nitric oxide amino acid ester compound, composition for increasing nitric oxide levels and method of use ORAL DELIVERY TECHNOLOGY LTD. (US) 2015-07-21 US disclosed
EP-2342175-B1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NITROGENIX INC (VG) 2015-05-27 EP disclosed
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE FARBER MICHAEL (US) 2014-02-27 US disclosed
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE BENOIT & COTE (CA) 2011-08-11 US disclosed
EP-2342175-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE Nitrogenix Inc. (VG) 2011-07-13 EP disclosed
US-20100311780-A1 Nitric oxide amino acid ester compound, composition for increasing nitirc oxide levels and method of use ORAL DELIVERY TECHNOLOGY LTD. (CA) 2010-12-09 US disclosed
US-7807716-B2 Nitric oxide amino acid ester compound, compositions for increasing nitric oxide levels and method of use ORAL DELIVERY TECHNOLOGY LTD. (CA) 2010-10-05 US disclosed
WO-2010034118-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE ORAL DELIVERY TECHNOLOGY LTD. (CA) 2010-04-01 WO disclosed
US-20100076043-A1 NITRIC OXIDE AMINO ACID ESTER COMPOUND, COMPOSITIONS FOR INCREASING NITRIC OXIDE LEVELS AND METHOD OF USE ORAL DELIVERY TECHNOLOGY LTD. (CA) 2010-03-25 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 (4 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-20100076043-A1 NITRIC OXIDE AMINO ACID ESTER COMPOUND, COMPOSITIONS FOR INCREASING NITRIC OXIDE LEVELS AND METHOD OF USE NOS1, NOS2, NOS3 SLC7A5 97/4885
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 SLC7A5 89/4885
US-20100311780-A1 Nitric oxide amino acid ester compound, composition for increasing nitirc oxide levels and method of use NOS1, NOS2, NOS3 SLC7A5 60/4885
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 SLC7A5 89/4885

“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.