SCHEMBL6096437

SCHEMBL6096437

COc1ccc(C2=CCCN(C(CCC(C)C)S(=O)(=O)c3ccccc3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
MMP13 P45452 3/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
MMP1 P03956 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR7 P34969 1/20 0.36
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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) HSD11B1ALDH1A1PKM
SCHEMBL6097994 0.89 HSD11B1 (0.40) HSD11B1MMP2ALDH1A1MAPTNPC1
SCHEMBL6097308 0.85 MMP2 (0.37) HSD11B1MMP13MMP2MMP9ALDH1A1
SCHEMBL6097361 0.82 RORC (0.33) HSD11B1
SCHEMBL6098896 0.78 VDR (0.36) ALDH1A1MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL6097610 0.78 KMT2A (0.37) ALDH1A1MAPTPOLB
SCHEMBL6096318 0.78 KDM4E (0.35) ALDH1A1
SCHEMBL6098065 0.73 ALDH1A1 (0.47) HSD11B1ALDH1A1MAPTNPC1RAB9A
SCHEMBL6097283 0.73 MEN1 (0.46) ALDH1A1MAPTNPC1RAB9AHTR7
SCHEMBL6097980 0.73 KDM4E (0.36) ALDH1A1MAPTLMNAHTT

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 HSD11B1 767/4885MMP13 4669/4885MMP2 4795/4885

“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.