SCHEMBL7555202

SCHEMBL7555202

COc1ccc(SC(C)(CCC(C)C)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.40
LDHA P00338 1/20 0.39
KIF11 P52732 1/20 0.39
PPARA Q07869 1/20 0.39
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC2A1 P11166 1/20 0.37
CYP2D6 P10635 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6935225 0.76 MMP1 (0.47) TDP1GAAPPARAALDH1A1SMN1; SMN2
SCHEMBL3997211 0.75 KIF11 (0.47) LMNATDP1GAALDHAKIF11
SCHEMBL6928746 0.75 MMP9 (0.46) LMNATDP1LDHAPPARAMEN1
SCHEMBL14309703 0.74 SLC22A12 (0.54) PPARAMTNR1AMTNR1BCA1CA2
Hydroxyamine SCHEMBL7647721 0.73 MMP1 (0.44) KIF11PPARAHTTMEN1KMT2A
SCHEMBL7511493 0.70 SLC22A12 (0.42) LMNALDHAPPARACA1CA2
SCHEMBL727827 0.70 CA1 (0.43) LMNATDP1LDHAHTTMTNR1A
SCHEMBL4006850 0.69 LMNA (0.47) LMNATDP1GAAKIF11HTT
SCHEMBL4006635 0.69 LMNA (0.44) LMNATDP1GAAKIF11HTT
SCHEMBL19652451 0.67 LMNA (0.41) LMNATDP1KIF11MEN1KMT2A

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 LMNA 3266/4885TDP1 3272/4885GAA 351/4885

“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.