SCHEMBL11956578

SCHEMBL11956578

NCNC(CC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA4 P22748 1/20 0.42
CA1 P00915 2/20 0.41
GABRR1 P24046 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GNPAT O15228 1/20 0.38
GGT1 P19440 1/20 0.37
MME P08473 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.36

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
SCHEMBL28090114 1.00 CA2 (0.42) CA2CA4CA1GABRR1LMNA
Ethylenediamine SCHEMBL8741929 0.82 GGT1 (0.47) CA2CA4GABRR1LMNATDP1
SCHEMBL381772 0.82 GGT1 (0.56) CA2CA4GABRR1LMNATDP1
SCHEMBL692576 0.82 GGT1 (0.56) CA2CA4GABRR1LMNATDP1
SCHEMBL7091886 0.82 GGT1 (0.56) CA2CA4GABRR1LMNATDP1
Water SCHEMBL25415254 0.80 GGT1 (0.55) CA2CA4GABRR1LMNAGGT1
SCHEMBL1446361 0.80 GGT1 (0.55) CA2CA4GABRR1LMNAGGT1
SCHEMBL414800 0.80 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL15637714 0.80 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL5825896 0.80 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 CN disclosed
US-20120195929-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2012-08-02 US disclosed
US-20120195929-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2012-08-02 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-20120195929-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME HLA-DRB1, MICA, CD74 CA2 714/4885CA4 559/4885CA1 648/4885

“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.