SCHEMBL7548378

SCHEMBL7548378

COc1ccc(S(=O)(=O)C2CCN(Cc3ccc(C)cc3)C(C(=O)O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.46
MMP1 P03956 3/20 0.46
MMP9 P14780 2/20 0.46
ADAM17 P78536 1/20 0.46
FKBP1A P62942 1/20 0.44
MMP8 P22894 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
EGFR P00533 1/20 0.42
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL7555707 0.92 ALDH1A1 (0.50) MMP13MMP1MMP9ADAM17MMP8
SCHEMBL7555081 0.91 MMP13 (0.47) MMP13MMP1MMP9ADAM17MMP8
Hydroxyamine SCHEMBL7557417 0.89 MMP13 (0.46) MMP13MMP1MMP9ADAM17MMP8
SCHEMBL7555596 0.86 MMP13 (0.47) MMP13MMP1MMP9ADAM17FKBP1A
SCHEMBL7550528 0.84 MMP1 (0.53) MMP13MMP1MMP9ADAM17ALDH1A1
Hydroxyamine SCHEMBL7551188 0.83 MMP13 (0.48) MMP13MMP1MMP9ADAM17MMP8
SCHEMBL7505164 0.82 MMP1 (0.58) MMP13MMP1MMP9ADAM17MMP8
SCHEMBL7552262 0.82 ALDH1A1 (0.46) MMP13MMP1MMP9ADAM17FKBP1A
SCHEMBL7559733 0.82 ALDH1A1 (0.46) MMP13MMP1MMP9ADAM17FKBP1A
SCHEMBL7553070 0.81 MMP13 (0.46) MMP13MMP1MMP9ADAM17MMP8

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 MMP13 15/4885MMP1 7/4885MMP9 16/4885

“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.