SCHEMBL7558249

SCHEMBL7558249

CCCCOc1ccc(S(=O)(=O)C2CCN(Cc3ccc(F)cc3)C(C(=O)OCC)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
KCNH2 Q12809 3/20 0.45
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
FKBP1A P62942 1/20 0.42
S1PR5 Q9H228 5/20 0.42
ADAM17 P78536 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL7515093 0.93 KCNH2 (0.46) KCNH2HRH3ALDH1A1KDM4EKMT2A
SCHEMBL7509731 0.92 MMP13 (0.47) MMP1MMP9MMP13KCNH2HRH3
SCHEMBL7505933 0.91 LTA4H (0.47) MMP1MMP9MMP13KCNH2HRH3
SCHEMBL7559733 0.90 ALDH1A1 (0.46) MMP1MMP9MMP13ALDH1A1KDM4E
SCHEMBL7553439 0.89 MMP1 (0.49) MMP1MMP9MMP13KCNH2HRH3
SCHEMBL7504704 0.88 HRH3 (0.56) MMP1MMP9MMP13KCNH2HRH3
SCHEMBL7510431 0.87 KCNH2 (0.51) MMP1KCNH2HRH3ALDH1A1KMT2A
SCHEMBL7510825 0.85 ALDH1A1 (0.52) MMP1MMP9MMP13KCNH2ALDH1A1
SCHEMBL7510687 0.83 MEN1 (0.59) MMP1MMP9MMP13KCNH2HRH3
SCHEMBL7510118 0.83 KCNH2 (0.50) MMP1MMP9MMP13KCNH2HRH3

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

“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.