SCHEMBL6097245

SCHEMBL6097245

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.43
CTSK P43235 5/20 0.39
CTSL P07711 3/20 0.39
CASP7 P55210 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
CASP1 P29466 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
BRCA1 P38398 1/20 0.35
CTSB P07858 4/20 0.34
CTSS P25774 3/20 0.34
UCHL1 P09936 2/20 0.34
CTSC P53634 2/20 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
SCHEMBL6097159 0.89 CYP2D6 (0.35) RORCCTSKCTSLCASP7KDM4E
SCHEMBL6096991 0.88 KDM4E (0.34) RORCCTSKCTSLCASP7KDM4E
SCHEMBL6097983 0.86 PAX8 (0.38) RORCCTSKCTSLCASP7KDM4E
SCHEMBL6095467 0.82 RORC (0.46) RORCCASP7KDM4EMEN1ALDH1A1
SCHEMBL6098125 0.81 FABP6 (0.36) RORCCTSKCTSLKDM4EALDH1A1
SCHEMBL6095436 0.81 CYP2C19 (0.41) RORCALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6097057 0.81 RORC (0.41) RORCKDM4EHSD17B10TSHR
SCHEMBL6097505 0.81 RORC (0.34) RORCCTSKCTSLCASP7KDM4E
SCHEMBL6097882 0.81 RORC (0.34) RORCCTSKCTSLCASP7KDM4E
Hydrochloric Acid SCHEMBL6097193 0.80 CYP2C19 (0.40) RORCALDH1A1MAPTKMT2ASMN1; 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 RORC 669/4885CTSK 2822/4885CTSL 2204/4885

“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.