SCHEMBL6097983

SCHEMBL6097983

CC(C)CCC(N1CCCC(C#Cc2ccccc2)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.38
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
PTGES O14684 2/20 0.34
RORC P51449 6/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
CTSL P07711 1/20 0.33
CTSK P43235 1/20 0.33
CHRM2 P08172 1/20 0.32

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
SCHEMBL6096991 0.89 KDM4E (0.34) RORCKDM4EMEN1ALDH1A1MAPT
SCHEMBL6097245 0.86 RORC (0.43) PAX8RORCKDM4EMEN1ALDH1A1
SCHEMBL6097159 0.86 CYP2D6 (0.35) RORCKDM4EMEN1ALDH1A1MAPT
SCHEMBL6095467 0.80 RORC (0.46) RORCKDM4EMEN1ALDH1A1MAPT
SCHEMBL6097882 0.78 RORC (0.34) RORCKDM4EMEN1ALDH1A1MAPT
SCHEMBL6097057 0.78 RORC (0.41) RORCKDM4EHSD17B10TSHR
SCHEMBL6095436 0.78 CYP2C19 (0.41) MMP2MMP9RORCALDH1A1MAPT
SCHEMBL6098125 0.78 FABP6 (0.36) RORCKDM4EALDH1A1CTSLCTSK
SCHEMBL6097505 0.78 RORC (0.34) RORCKDM4EMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6097193 0.77 CYP2C19 (0.40) MMP2MMP9RORCALDH1A1MAPT

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 PAX8 3747/4885MMP2 4795/4885MMP9 4748/4885

“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.