SCHEMBL7553176

SCHEMBL7553176

CCOC(=O)C(C)(Cc1ccccc1OC(C)C1CCCCN1)S(=O)(=O)c1ccoc1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 3/20 0.41
DHFR P00374 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6929877 0.85 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4
SCHEMBL7553172 0.83 HSP90AA1 (0.35) SLC6A3SLC6A2SLC6A4
SCHEMBL7553179 0.73 MEN1 (0.45) ALDH1A1TDP1
SCHEMBL6934267 0.71 MMP8 (0.48) ALDH1A1LMNA
SCHEMBL7623087 0.66 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL7514479 0.63 MEN1 (0.47) ALDH1A1TDP1
SCHEMBL6765316 0.63 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4
SCHEMBL7794788 0.62 TTR (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL6701385 0.62 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL6699898 0.62 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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 SLC6A3 3664/4885SLC6A2 4230/4885SLC6A4 4099/4885

“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.