SCHEMBL6097994

SCHEMBL6097994

COc1cccc(C2=CCCN(C(CCC(C)C)S(=O)(=O)c3ccccc3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
HTR6 P50406 1/20 0.35
TAS2R14 Q9NYV8 2/20 0.35
KAT6A Q92794 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
NCOA1 Q15788 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
SCHEMBL6096437 0.89 HSD11B1 (0.47) HSD11B1ALDH1A1HTTNPC1RAB9A
SCHEMBL6099117 0.88 HSD11B1 (0.40) HSD11B1ALDH1A1KDM4EGAATSHR
SCHEMBL6097361 0.79 RORC (0.33) HSD11B1KDM4E
SCHEMBL6097308 0.78 MMP2 (0.37) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6097610 0.78 KMT2A (0.37) ALDH1A1KDM4EGAATSHRKMT2A
SCHEMBL6098896 0.76 VDR (0.36) ALDH1A1KDM4ETSHRHTTSMN1; SMN2
SCHEMBL6096318 0.76 KDM4E (0.35) ALDH1A1KDM4EGAATSHRKMT2A
SCHEMBL6097989 0.69 HTR7 (0.46) HSD11B1ALDH1A1KDM4EMEN1GAA
SCHEMBL6097283 0.69 MEN1 (0.46) ALDH1A1KDM4EMEN1GAATSHR
SCHEMBL6097980 0.69 KDM4E (0.36) ALDH1A1KDM4EGAATSHRHTT

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 HSD11B1 767/4885ALDH1A1 1138/4885KDM4E 2306/4885

“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.