SCHEMBL5041586

SCHEMBL5041586

CCOC(=O)CN(CC(=O)O)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.53
CA2 P00918 7/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 5/20 0.50
TRPA1 O75762 1/20 0.50
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
TDP1 Q9NUW8 2/20 0.44
EYA2 O00167 1/20 0.44
APP P05067 1/20 0.44
ACE P12821 1/20 0.44
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL20366323 1.00 CA1 (0.53) CA1CA2CA12CA9ALDH1A1
Benzene SCHEMBL27990620 0.96 CA1 (0.50) CA1CA2CA12CA9ALDH1A1
SCHEMBL5850824 0.91 TDP1 (0.58) CA1CA2CA12CA9ALDH1A1
SCHEMBL5850408 0.91 TDP1 (0.58) CA1CA2CA12CA9ALDH1A1
SCHEMBL2164568 0.91 TDP1 (0.58) CA1CA2CA12CA9ALDH1A1
SCHEMBL65107 0.91 CA12 (0.61) CA1CA2CA12CA9ALDH1A1
SCHEMBL12191709 0.90 TDP1 (0.60) CA1CA2CA12CA9ALDH1A1
SCHEMBL6047714 0.90 TDP1 (0.60) CA1CA2CA12CA9ALDH1A1
SCHEMBL8913177 0.90 TDP1 (0.60) CA1CA2CA12CA9ALDH1A1
SCHEMBL15741243 0.90 TDP1 (0.60) CA1CA2CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912428-B Preparation method of N-alkylated triamino star ultra-low molecular inhibitor 长江大学 2022-02-22 CN disclosed
CN-109912428-A N- is alkylated the preparation method of three amido star ultra-low molecular inhibitor 长江大学 2019-06-21 CN disclosed
CN-106281263-B A kind of Ultra-low molecular weight intercalation inhibitor and preparation method thereof 西南石油大学 2018-11-09 CN disclosed
CN-106281263-A A kind of Ultra-low molecular weight intercalation inhibitor and preparation method thereof 西南石油大学 2017-01-04 CN disclosed
US-7863479-B2 Alkyl ether sulfates BASF AKTIENGESELLSCHAFT (DE) 2011-01-04 US disclosed
US-20080207939-A1 Alkyl Ether Sulfates BASF AKTIENGESELLSCHAFT (DE) 2008-08-28 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-20080207939-A1 Alkyl Ether Sulfates MRPS23, RER1, SCO2 CA1 2977/4885CA2 1778/4885CA12 1713/4885

“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.