SCHEMBL21047285

SCHEMBL21047285

Cc1ccc(S(=O)(=O)n2cc(/C=N/[S+]([O-])C(C)(C)C)nc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 1/20 0.36
UBE2N P61088 1/20 0.36
ALDH3A1 P30838 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NOD1 Q9Y239 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
CA9 Q16790 1/20 0.32
SLC9A1 P19634 1/20 0.32
PKM P14618 1/20 0.32
HTR6 P50406 1/20 0.32
KLK7 P49862 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL19859803 1.00 ALDH1A1 (0.41) ALDH1A1CA2CA1L3MBTL1KDM4E
SCHEMBL21047286 1.00 ALDH1A1 (0.41) ALDH1A1CA2CA1L3MBTL1KDM4E
SCHEMBL21047287 1.00 ALDH1A1 (0.41) ALDH1A1CA2CA1L3MBTL1KDM4E
SCHEMBL21047356 0.79 GAA (0.44) ALDH1A1CA2CA1L3MBTL1KDM4E
SCHEMBL21047358 0.79 GAA (0.44) ALDH1A1CA2CA1L3MBTL1KDM4E
SCHEMBL21047355 0.79 GAA (0.44) ALDH1A1CA2CA1L3MBTL1KDM4E
SCHEMBL1933936 0.77 L3MBTL1 (0.43) CA2CA1L3MBTL1ALDH3A1POLB
SCHEMBL1933932 0.77 L3MBTL1 (0.43) CA2CA1L3MBTL1ALDH3A1POLB
SCHEMBL1933934 0.77 L3MBTL1 (0.43) CA2CA1L3MBTL1ALDH3A1POLB
SCHEMBL1933935 0.77 L3MBTL1 (0.43) CA2CA1L3MBTL1ALDH3A1POLB

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-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2019-06-06 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-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, FOLH1 ALDH1A1 608/4885CA2 894/4885CA1 937/4885

“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.