SCHEMBL6095644

SCHEMBL6095644

COC(=O)CC(C)C(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNA5 P22460 3/20 0.45
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP1 P03956 6/20 0.42
MMP2 P08253 3/20 0.42
MMP3 P08254 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
MMP13 P45452 4/20 0.42
MMP7 P09237 3/20 0.42
MMP12 P39900 3/20 0.42
ACE P12821 2/20 0.42

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
SCHEMBL27853852 0.79 ALDH1A1 (0.44) LMNAKCNA5ALDH1A1SMN1; SMN2NPC1
SCHEMBL28773565 0.77 MMP1 (0.47) LMNAKCNA5ALDH1A1SMN1; SMN2NPC1
SCHEMBL17323164 0.74 PSIP1 (0.48) LMNATSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6094393 0.73 TSHR (0.41) LMNATSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6094391 0.73 TSHR (0.41) LMNATSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6097607 0.73 TSHR (0.41) LMNATSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9703092 0.73 CA12 (0.46) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1735426 0.72 SMN1; SMN2 (0.46) LMNATSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4968247 0.72 MMP1 (0.64) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL6097619 0.71 CA12 (0.51) LMNATSHRHSD17B10ALDH1A1SMN1; SMN2

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 LMNA 3190/4885TSHR 88/4885HSD17B10 2214/4885

“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.