SCHEMBL6095078

SCHEMBL6095078

CC(C)CCC(N1CCCC(Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
ADAM17 P78536 1/20 0.42
HTR6 P50406 11/20 0.40
BCHE P06276 3/20 0.40
PIM1 P11309 1/20 0.37
MARK3 P27448 1/20 0.37
MAP4K2 Q12851 1/20 0.37
CAMK2B Q13554 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
ACHE P22303 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL6098239 0.87 EPHX1 (0.41) EPHX1L3MBTL1ADAM17HTR6BCHE
SCHEMBL31302652 0.78 EPHX1 (0.54) EPHX1L3MBTL1HTR6BCHEPIM1
SCHEMBL31302628 0.78 EPHX1 (0.54) EPHX1L3MBTL1HTR6BCHEPIM1
SCHEMBL6095073 0.76 HTR7 (0.54) EPHX1L3MBTL1ADAM17HTR6BCHE
SCHEMBL6095436 0.75 CYP2C19 (0.41)
Hydrochloric Acid SCHEMBL6097193 0.74 CYP2C19 (0.40)
Hydrochloric Acid SCHEMBL6096481 0.74 HTR6 (0.47) HTR6BCHE
SCHEMBL6097247 0.72 CYP2C19 (0.38) BCHEACHE
SCHEMBL6096791 0.72 EPHX1 (0.55) EPHX1L3MBTL1ADAM17HTR6BCHE
SCHEMBL6095467 0.71 RORC (0.46)

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 3058/4885L3MBTL1 3424/4885ADAM17 4175/4885

“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.