SCHEMBL7042609

SCHEMBL7042609

CC(C[CH]C(=O)N[C@H]1CCCN(S(=O)(=O)c2cccs2)CC1=O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41
EPHX2 P34913 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
HCRTR1 O43613 1/20 0.39

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
SCHEMBL7427117 0.91 MEN1 (0.52) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL4767047 0.86 CTSK (0.42)
SCHEMBL7428434 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL5106030 0.84 CTSK (0.41) MEN1KMT2A
SCHEMBL4839956 0.84 CTSK (0.40) ALDH1A1HTTGAASMN1; SMN2
SCHEMBL5099273 0.83 CTSK (0.40) ALDH1A1GAA
SCHEMBL6404947 0.83 CTSK (0.44) EPHX2
SCHEMBL5098737 0.83 ALDH1A1 (0.41) MEN1KMT2AALDH1A1EPHX2
SCHEMBL4767024 0.82 MEN1 (0.40) MEN1KMT2AHTTGAASMN1; SMN2
SCHEMBL5099202 0.82 KMT2A (0.43) MEN1KMT2AALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US claimed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 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-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP MEN1 3024/4885KMT2A 1833/4885ALDH1A1 1483/4885

“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.