SCHEMBL6095322

SCHEMBL6095322

CC(C)(CCO)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.44
HTR7 P34969 6/20 0.44
DRD2 P14416 4/20 0.44
HTR1A P08908 3/20 0.44
HTR2A P28223 3/20 0.44
HTR1B P28222 1/20 0.44
PSIP1 O75475 1/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
HTR6 P50406 1/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL27645438 0.85 HTR7 (0.44) HSD11B1HTR7DRD2HTR1AHTR2A
SCHEMBL31004986 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP2C19RECQL
SCHEMBL18852692 0.82 PSIP1 (0.48) HSD11B1HTR7DRD2HTR1AHTR2A
SCHEMBL15681428 0.82 KMT2A (0.47) ALDH1A1
SCHEMBL1498482 0.79 CA1 (0.53) ALDH1A1SMN1; SMN2CYP2C19RECQLPOLB
SCHEMBL6097229 0.78 HTR7 (0.48) HSD11B1HTR7DRD2HTR1AHTR2A
SCHEMBL13703524 0.78 PSIP1 (0.52) HSD11B1HTR7DRD2HTR1AHTR2A
SCHEMBL7296391 0.78 PSIP1 (0.46) HSD11B1HTR7DRD2HTR1AHTR2A
SCHEMBL16637745 0.78 HSD11B1 (0.43) HSD11B1HTR7PSIP1CYP2C19TSHR
SCHEMBL30487215 0.77 APOBEC3G (0.41) HSD11B1PSIP1ALDH1A1SMN1; SMN2CYP2C19

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 767/4885HTR7 1/4885DRD2 74/4885

“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.