SCHEMBL5966652

SCHEMBL5966652

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.55
NOS1 P29475 1/20 0.55
NOS2 P35228 1/20 0.55
PPARA Q07869 6/20 0.41
PPARG P37231 5/20 0.41
CTSK P43235 8/20 0.40
CTSS P25774 3/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
PPARD Q03181 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
C3AR1 Q16581 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 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
SCHEMBL2237559 1.00 NOS3 (0.55) NOS3NOS1NOS2PPARAPPARG
SCHEMBL29690693 0.90 NOS3 (0.48) NOS3NOS1NOS2PPARAPPARG
SCHEMBL5966544 0.87 REN (0.49) NOS3NOS1NOS2PPARAPPARG
SCHEMBL7369111 0.86 NOS3 (0.52) NOS3NOS1NOS2PPARAPPARG
SCHEMBL11024821 0.84 NOS3 (0.42) NOS3NOS1NOS2PPARAPPARG
SCHEMBL8376056 0.81 NOS3 (0.46) NOS3NOS1NOS2CTSK
SCHEMBL6957795 0.80 CTSK (0.44) PPARAPPARGCTSKCTSSALDH1A1
SCHEMBL5966560 0.80 REN (0.47) CTSKCTSS
SCHEMBL30619504 0.79 CTSL (0.44) NOS3NOS1NOS2CTSKCTSS
SCHEMBL5966478 0.79 CTSS (0.51) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104356196-A Oligopeptide based reductive sensitive lipid derivative and application of derivative in drug delivery UNIV CHINA PHARMA 2015-02-18 CN disclosed
US-20060128613-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-06-15 US disclosed
EP-1409540-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2004-04-21 EP disclosed
WO-2002026774-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 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-20060128613-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R NOS3 2858/4885NOS1 4628/4885NOS2 4650/4885

“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.