SCHEMBL5155647

SCHEMBL5155647

CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCC(CO[N+](=O)[O-])CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.44
ITGA2B P08514 12/20 0.44
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL14573987 0.92 ITGB3 (0.38) ITGB3ITGA2BTSHRCTSSCTSK
SCHEMBL5151071 0.91 ITGB3 (0.46) ITGB3ITGA2BTSHRMAPK1PPARG
SCHEMBL5151015 0.89 ITGB3 (0.40) ITGB3ITGA2BTSHRCTSSCTSK
SCHEMBL5151111 0.86 ITGB3 (0.41) ITGB3ITGA2BTSHRMAPK1PPARG
SCHEMBL14573966 0.83 BCHE (0.40) ITGB3ITGA2BTSHRCTSSCTSK
SCHEMBL14573991 0.82 ITGB3 (0.39) ITGB3ITGA2BCTSSCTSK
SCHEMBL21409318 0.79 CTSK (0.44) ITGB3ITGA2BTSHRPPARGPPARA
SCHEMBL21409319 0.79 CTSK (0.44) ITGB3ITGA2BTSHRPPARGPPARA
SCHEMBL24645242 0.79 TSHR (0.45) ITGB3ITGA2BTSHRMAPK1CTSS
SCHEMBL3892487 0.78 CTSK (0.45) ITGB3ITGA2BTSHRPPARGPPARA

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
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
EP-1673384-A4 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2007-02-07 EP disclosed
EP-1673384-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-06-28 EP disclosed
WO-2005030135-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-04-07 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-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use GLS, NOS2, NOS1 ITGB3 2069/4885ITGA2B 2429/4885TSHR 2536/4885

“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.