SCHEMBL7768006

SCHEMBL7768006

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.41
CPA1 P15085 1/20 0.38
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
PGD P52209 1/20 0.30
CYP2C9 P11712 1/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL28118230 0.78 ALDH1A1 (0.33) ALDH1A1HPGDHIF1APGD
SCHEMBL2124558 0.77 CPA1 (0.39) TP53CPA1ALDH1A1HPGDHIF1A
SCHEMBL158249 0.75 SMN1; SMN2 (0.37) ALDH1A1HPGDHIF1ATDP1
SCHEMBL459446 0.74
Cadaverine Tartrate SCHEMBL5389202 0.73 TSHR (0.62) TSHRTP53CPA1ALDH1A1HIF1A
Cadaverine Tartrate SCHEMBL9222315 0.73 TSHR (0.62) TSHRTP53CPA1ALDH1A1HIF1A
Cadaverine Tartrate SCHEMBL20636592 0.73 TSHR (0.62) TSHRTP53CPA1ALDH1A1HIF1A
SCHEMBL11045907 0.73 ALDH1A1 (0.35) ALDH1A1HPGDHIF1A
SCHEMBL9512718 0.73
SCHEMBL1980632 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112990-A1 Methods for producing and separating erythro- and threo-2-hydroxy-3-nitrobutanoic acid compounds SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-07-04 EP claimed
US-20010005762-A1 Reacting in a solvent, a 2-hydroxy-3-nitrobutanoic acid compound with not less than 1 equivalent of a base to isomerize the erythro compound into threo compound or the threo compound into the erythro compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-06-28 US claimed
JP-2001247488-A METHOD FOR PRODUCING ERYTHRO- OR THREO-FORM OF 2- HYDROXY-3-NITROBUTYRIC ACID COMPOUND, AND METHOD FOR SEPARATING ERYTHRO- AND THREO-FORM OF 2-HYDROXY-3- NITROBUTYRIC ACID COMPOUND SUMIKA FINE CHEMICALS CO LTD 2001-09-11 JP disclosed
EP-1112990-A1 Methods for producing and separating erythro- and threo-2-hydroxy-3-nitrobutanoic acid compounds SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-07-04 EP disclosed
EP-1112990-A1 Methods for producing and separating erythro- and threo-2-hydroxy-3-nitrobutanoic acid compounds SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-07-04 EP disclosed
EP-1112990-A1 Methods for producing and separating erythro- and threo-2-hydroxy-3-nitrobutanoic acid compounds SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-07-04 EP disclosed
US-20010005762-A1 Reacting in a solvent, a 2-hydroxy-3-nitrobutanoic acid compound with not less than 1 equivalent of a base to isomerize the erythro compound into threo compound or the threo compound into the erythro compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-06-28 US disclosed
US-20010005762-A1 Reacting in a solvent, a 2-hydroxy-3-nitrobutanoic acid compound with not less than 1 equivalent of a base to isomerize the erythro compound into threo compound or the threo compound into the erythro compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-06-28 US disclosed
US-20010005762-A1 Reacting in a solvent, a 2-hydroxy-3-nitrobutanoic acid compound with not less than 1 equivalent of a base to isomerize the erythro compound into threo compound or the threo compound into the erythro compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-06-28 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 (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-20010005762-A1 Reacting in a solvent, a 2-hydroxy-3-nitrobutanoic acid compound with not less than 1 equivalent of a base to isomerize the erythro compound into threo compound or the threo compound into the erythro compound NHERF1, SLC5A1, SLC9B2 TSHR 1959/4885TP53 4780/4885CPA1 2818/4885

“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.