SCHEMBL6097882

SCHEMBL6097882

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
LMNA P02545 1/20 0.33
CTSL P07711 1/20 0.33
CTSK P43235 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
SCHEMBL6097505 0.91 RORC (0.34) RORCTSHRKDM4ECHRM2CHRM1
SCHEMBL6096633 0.87 RORC (0.34) RORCKDM4ECHRM2CHRM1ALDH1A1
SCHEMBL6095467 0.83 RORC (0.46) RORCKDM4EALDH1A1MAPTKMT2A
SCHEMBL6098125 0.81 FABP6 (0.36) RORCTSHRKDM4EALDH1A1CTSL
SCHEMBL6095436 0.81 CYP2C19 (0.41) RORCCHRM2CHRM1ALDH1A1MAPT
SCHEMBL6097057 0.81 RORC (0.41) RORCTSHRKDM4ECYP2C19HSD17B10
Hydrochloric Acid SCHEMBL6097193 0.81 CYP2C19 (0.40) RORCCHRM2CHRM1ALDH1A1MAPT
SCHEMBL6097245 0.81 RORC (0.43) RORCTSHRKDM4EALDH1A1MAPT
SCHEMBL6097159 0.81 CYP2D6 (0.35) RORCTSHRKDM4ECHRM2CHRM1
SCHEMBL6097247 0.80 CYP2C19 (0.38) RORCCHRM2CHRM1ALDH1A1KMT2A

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 669/4885TSHR 88/4885KDM4E 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.