SCHEMBL17403979

SCHEMBL17403979

CCCCOC(=O)[C@@H](C)NP(=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MGLL Q99685 2/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL15003930 1.00 ALDH1A1 (0.46) ALDH1A1MGLLDRD2DRD4DRD3
SCHEMBL20059145 1.00 ALDH1A1 (0.46) ALDH1A1MGLLDRD2DRD4DRD3
SCHEMBL26277080 0.97 MGLL (0.46) ALDH1A1MGLLDRD2DRD4DRD3
SCHEMBL28854955 0.97 MGLL (0.46) ALDH1A1MGLLDRD2DRD4DRD3
SCHEMBL26277058 0.97 MGLL (0.46) ALDH1A1MGLLDRD2DRD4DRD3
SCHEMBL28854836 0.97 MGLL (0.46) ALDH1A1MGLLDRD2DRD4DRD3
SCHEMBL28854876 0.97 MGLL (0.46) ALDH1A1MGLLDRD2DRD4DRD3
SCHEMBL28854978 0.97 MGLL (0.46) ALDH1A1MGLLDRD2DRD4DRD3
SCHEMBL28855001 0.97 MGLL (0.46) ALDH1A1MGLLDRD2DRD4DRD3
SCHEMBL26277070 0.97 MGLL (0.46) ALDH1A1MGLLDRD2DRD4DRD3

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
EP-2852603-B1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS LLC (US) 2021-05-12 — — EP disclosed
US-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC 2016-03-24 — — US disclosed
US-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC 2016-03-24 — — US disclosed
US-20160002281-A1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE UNIVERSITE DE MONTPELLIER (FR) 2016-01-07 — — 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 (2 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-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION SLC28A2, SLC28A1, SLC29A2 ALDH1A1 1085/4885MGLL 3618/4885DRD2 2501/4885
US-20160002281-A1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE AADAT, BCAT1, BCAT2 ALDH1A1 727/4885MGLL 2520/4885DRD2 852/4885

“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.

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