SCHEMBL7215592

SCHEMBL7215592

O=C(NO)C(O)(CSCc1ccccc1)CS(=O)(=O)c1cc(Cl)ccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SHMT1 P34896 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PPARA Q07869 1/20 0.35
RAB9A P51151 1/20 0.35
PLA2G1B P04054 1/20 0.35
HTT P42858 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7212023 0.90 ALDH1A1 (0.39) ALDH1A1L3MBTL1TDP1SHMT1PTGDR2
SCHEMBL7212130 0.87 SHMT1 (0.38) ALDH1A1SHMT1PTGDR2KMT2A
SCHEMBL7210908 0.86 MMP2 (0.38) TDP1SHMT1PTGDR2
SCHEMBL7210521 0.84 SHMT1 (0.35) SHMT1MEN1KMT2A
SCHEMBL7210467 0.77 SHMT1 (0.38) SHMT1PTGDR2PPARAMEN1KMT2A
SCHEMBL7210429 0.76 HDAC6 (0.37) ALDH1A1SHMT1PTGDR2
SCHEMBL7210804 0.76 MMP2 (0.38) SHMT1PTGDR2
SCHEMBL7216938 0.75 PTGDR2 (0.38) TDP1SHMT1PTGDR2
SCHEMBL7430760 0.75 PTGDR2 (0.38) TDP1SHMT1PTGDR2
SCHEMBL7215608 0.75 ALDH1A1 (0.37) ALDH1A1TDP1SHMT1PTGDR2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 US claimed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 EP claimed
US-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 US disclosed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 EP 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-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS MMP1, MMP8, HRH3 ALDH1A1 3218/4885L3MBTL1 3610/4885TDP1 1248/4885

“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.