SCHEMBL21047091

SCHEMBL21047091

Cc1ccc(S(=O)(=O)n2cnc(C(N[S@+]([O-])C(C)(C)C)C(C)C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
GRM4 Q14833 2/20 0.36
NOD1 Q9Y239 2/20 0.33
POLB P06746 1/20 0.33
ALDH3A1 P30838 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.32
KLK7 P49862 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
SCHEMBL21047093 1.00 ALDH1A1 (0.40) ALDH1A1GAAMAPTKMT2ACA1
SCHEMBL21047088 1.00 ALDH1A1 (0.40) ALDH1A1GAAMAPTKMT2ACA1
SCHEMBL19859826 0.80 ALDH1A1 (0.40) ALDH1A1GAAMAPTKMT2ACA1
SCHEMBL19859827 0.80 ALDH1A1 (0.40) ALDH1A1GAAMAPTKMT2ACA1
SCHEMBL19859825 0.80 ALDH1A1 (0.40) ALDH1A1GAAMAPTKMT2ACA1
SCHEMBL19859550 0.77 GRM4 (0.40) ALDH1A1GAAMAPTKMT2ACA1
SCHEMBL19859548 0.77 GRM4 (0.40) ALDH1A1GAAMAPTKMT2ACA1
SCHEMBL19859554 0.77 GRM4 (0.40) ALDH1A1GAAMAPTKMT2ACA1
SCHEMBL11618399 0.75 GAA (0.49) ALDH1A1GAAMAPTKMT2ACA1
SCHEMBL5473598 0.72 ALDH1A1 (0.46) ALDH1A1GAAMAPTKMT2ACA1

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 608/4885GAA 43/4885MAPT 1189/4885

“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.