SCHEMBL7591900

SCHEMBL7591900

Cn1ccnc1S(=O)(=O)C(C)(Cc1ccccc1-c1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
FFAR1 O14842 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
MC1R Q01726 1/20 0.34
ADAMTS7 Q9UKP4 1/20 0.33
ESR1 P03372 1/20 0.33
HTR6 P50406 1/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL6934201 0.84 MMP13 (0.43) ITGB1ITGA4ITGB7MMP2MMP9
SCHEMBL7591902 0.81 FFAR1 (0.41) FFAR1HDAC1
SCHEMBL6933225 0.74 MMP13 (0.57) MMP9
SCHEMBL6932820 0.73 MMP1 (0.41) ITGB1ITGA4ITGB7MMP9
SCHEMBL7646395 0.71 MMP9 (0.56) MMP2MMP9FFAR1
SCHEMBL7421763 0.71 ITGB1 (0.39) ITGB1ITGA4ITGB7MMP9KMT2A
SCHEMBL8289667 0.66 MMP13 (0.46) ITGB1ITGA4ITGB7MMP9
SCHEMBL22951445 0.66 MCL1 (0.40) KMT2AHTR6
SCHEMBL6930728 0.66 ALDH1A1 (0.38) KMT2A
SCHEMBL9977989 0.64 POLB (0.53) KMT2AMEN1

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-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-01-17 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-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 ITGB1 760/4885ITGA4 1752/4885ITGB7 1999/4885

“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.