SCHEMBL7515093

SCHEMBL7515093

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
HRH3 Q9Y5N1 1/20 0.46
KMT2A Q03164 3/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 7/20 0.44
TSHR P16473 1/20 0.43
S1PR5 Q9H228 4/20 0.43
FKBP1A P62942 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
RAB9A P51151 1/20 0.41
S1PR1 P21453 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
SCHEMBL7509731 0.94 MMP13 (0.47) KCNH2HRH3KMT2APKMALDH1A1
SCHEMBL7558249 0.93 MMP1 (0.47) KCNH2HRH3KMT2APKMALDH1A1
SCHEMBL7505933 0.93 LTA4H (0.47) KCNH2HRH3KMT2APKMALDH1A1
SCHEMBL7553439 0.91 MMP1 (0.49) KCNH2HRH3KMT2APKMALDH1A1
SCHEMBL7504704 0.90 HRH3 (0.56) KCNH2HRH3ALDH1A1TSHRS1PR5
SCHEMBL7510431 0.89 KCNH2 (0.51) KCNH2HRH3KMT2APKMALDH1A1
SCHEMBL7510825 0.86 ALDH1A1 (0.52) KCNH2KMT2APKMALDH1A1KDM4E
SCHEMBL7510687 0.85 MEN1 (0.59) KCNH2HRH3KMT2AALDH1A1TSHR
SCHEMBL7510863 0.84 POLB (0.54) KMT2APKMS1PR5MEN1RAB9A
SCHEMBL7510118 0.84 KCNH2 (0.50) KCNH2HRH3KMT2APKMALDH1A1

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 KCNH2 3171/4885HRH3 1187/4885KMT2A 3103/4885

“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.