SCHEMBL21992833

SCHEMBL21992833

CC(C(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.46
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
ELANE P08246 1/20 0.44
ACHE P22303 2/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 2/20 0.43
HCAR2 Q8TDS4 1/20 0.42
CASP1 P29466 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
SCHEMBL12587896 0.83 ATM (0.55) ALDH1A1KMT2ATDP1LMNACA1
SCHEMBL2017698 0.83 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL22292062 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6097619 0.80 CA12 (0.51) ALDH1A1KMT2ALMNACA1CA2
SCHEMBL28104760 0.78 CA12 (0.50) ALDH1A1TDP1LMNACA1CA2
SCHEMBL31491210 0.77 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL939536 0.77 ALDH1A1 (0.64) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL16884985 0.77 CA12 (0.51) ALDH1A1KMT2ATDP1LMNACA1
SCHEMBL12640200 0.77 ALDH1A1 (0.64) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL112859 0.77 ALDH1A1 (0.64) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640461-B2 Heterodimers of glutamic acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2020-05-05 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-10640461-B2 Heterodimers of glutamic acid DDO, GLUL, ASNS ALDH1A1 2259/4885MAPK1 4457/4885L3MBTL1 1876/4885

“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.