SCHEMBL6098239

SCHEMBL6098239

CC(C)CCC(N1CCCC(c2cn(C(=O)OC(C)(C)C)c3ccccc23)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
SCN9A Q15858 1/20 0.40
PIM1 P11309 1/20 0.38
MARK3 P27448 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CAMK2B Q13554 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
HTR6 P50406 6/20 0.38
BCHE P06276 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADAM17 P78536 1/20 0.38
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR2 O43614 1/20 0.35
STS P08842 1/20 0.35
TGFBR1 P36897 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL6095078 0.87 EPHX1 (0.46) EPHX1PIM1MARK3MAP4K2CAMK2B
SCHEMBL31358176 0.78 SCN9A (0.53) EPHX1SCN9APIM1MARK3MAP4K2
SCHEMBL6098231 0.77 HTR7 (0.60) EPHX1SCN9APIM1MARK3MAP4K2
SCHEMBL6096741 0.75 KDM4E (0.47) HTR6MEN1KMT2A
SCHEMBL6095467 0.74 RORC (0.46) MEN1KMT2A
SCHEMBL587407 0.74 L3MBTL1 (0.53) EPHX1SCN9APIM1MARK3MAP4K2
Oxalic Acid SCHEMBL6100151 0.72 HTR6 (0.53) EPHX1PIM1MARK3MAP4K2CAMK2B
SCHEMBL6098065 0.71 ALDH1A1 (0.47) MEN1KMT2A
SCHEMBL31358164 0.71 SCN9A (0.46) EPHX1SCN9APIM1MARK3MAP4K2
SCHEMBL6099714 0.71 KMT2A (0.50) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A EPHX1 3058/4885SCN9A 924/4885PIM1 4367/4885

“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.