SCHEMBL12367200

SCHEMBL12367200

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA9 Q16790 3/20 0.40
PTGS1 P23219 2/20 0.36
TTPA P49638 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
SCHEMBL165364 0.97 CA12 (0.43) PTGS2CA12CA1CA2CA4
SCHEMBL256549 0.97 CA12 (0.43) PTGS2CA12CA1CA2CA4
SCHEMBL257159 0.90 PTGS2 (0.43) PTGS2CA12CA1CA2CA4
SCHEMBL166762 0.90 PTGS2 (0.43) PTGS2CA12CA1CA2CA4
SCHEMBL257131 0.90 PTGS2 (0.43) PTGS2CA12CA1CA2CA4
SCHEMBL13396531 0.89 CA12 (0.40) PTGS2CA12CA1CA2CA4
SCHEMBL13396347 0.85 CA12 (0.43) PTGS2CA12CA1CA2CA4
SCHEMBL13396503 0.84 CA12 (0.42) PTGS2CA12CA1CA2CA4
SCHEMBL14095438 0.84 SLC7A5 (0.44)
SCHEMBL13397320 0.84 SLC7A5 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE FARBER MICHAEL (US) 2014-02-27 US 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
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE BENOIT & COTE (CA) 2011-08-11 US 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-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
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
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 PTGS2 305/4885CA12 3019/4885CA1 1816/4885
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 PTGS2 68/4885CA12 1950/4885CA1 780/4885
US-20100311780-A1 Nitric oxide amino acid ester compound, composition for increasing nitirc oxide levels and method of use NOS1, NOS2, NOS3 PTGS2 852/4885CA12 3908/4885CA1 1630/4885
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 PTGS2 68/4885CA12 1950/4885CA1 780/4885

“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.