SCHEMBL6097308

SCHEMBL6097308

CC(C)CCC(N1CCC=C(c2ccc(C#N)cc2)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.37
MMP9 P14780 5/20 0.37
PAX8 Q06710 1/20 0.35
MAPT P10636 1/20 0.34
GRIA2 P42262 4/20 0.34
KCNH2 Q12809 2/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD11B1 P28845 2/20 0.33
POLB P06746 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL6099117 0.90 HSD11B1 (0.40) ALDH1A1KMT2AHSD11B1RORC
SCHEMBL6096437 0.85 HSD11B1 (0.47) MMP2MMP9MAPTALDH1A1SMN1; SMN2
SCHEMBL6097361 0.81 RORC (0.33) HSD11B1RORC
SCHEMBL6097994 0.78 HSD11B1 (0.40) MMP2MAPTMEN1ALDH1A1KMT2A
SCHEMBL6097610 0.78 KMT2A (0.37) MAPTALDH1A1KMT2APOLBRORC
SCHEMBL6098896 0.78 VDR (0.36) MAPTALDH1A1SMN1; SMN2POLBRORC
SCHEMBL6096318 0.77 KDM4E (0.35) ALDH1A1KMT2ARORC
SCHEMBL6097283 0.72 MEN1 (0.46) MAPTMEN1USP2ALDH1A1KMT2A
SCHEMBL6097980 0.72 KDM4E (0.36) MAPTALDH1A1KMT2ARORC
SCHEMBL6096487 0.72 KDM4E (0.39) MAPTUSP2ALDH1A1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 US claimed
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 MMP2 4795/4885MMP9 4748/4885PAX8 3747/4885

“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.