SCHEMBL642161

SCHEMBL642161

O=S(=O)(O)CCC1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.51
POLB P06746 1/20 0.50
CNR1 P21554 1/20 0.50
HTR7 P34969 3/20 0.46
CYP2D6 P10635 2/20 0.46
HTR1B P28222 2/20 0.46
DRD3 P35462 2/20 0.46
HTR5A P47898 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR1D P28221 1/20 0.46
HTR2B P41595 1/20 0.46
HTR6 P50406 1/20 0.46
HTR4 Q13639 1/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
OPRM1 P35372 1/20 0.45

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
SCHEMBL640103 0.89 BDKRB1 (0.52) BDKRB1POLBCNR1
Hydrochloric Acid SCHEMBL641356 0.88 BDKRB1 (0.51) BDKRB1POLBCNR1
SCHEMBL5126196 0.87 BDKRB1 (0.53) BDKRB1POLBCNR1
SCHEMBL13587273 0.87 PSEN1 (0.59) BDKRB1POLBCNR1HTR7CYP2D6
SCHEMBL639275 0.86 BRD4 (0.57) BDKRB1POLBCNR1
SCHEMBL15267612 0.84 PSEN1 (0.57) BDKRB1POLBCNR1
SCHEMBL644955 0.83 BDKRB1 (0.58) BDKRB1POLBCNR1
SCHEMBL13587105 0.83 BDKRB1 (0.56) BDKRB1POLBCNR1NPSR1
SCHEMBL5803423 0.83 BDKRB1 (0.58) BDKRB1POLBCNR1
SCHEMBL14033652 0.83 BDKRB1 (0.55) BDKRB1POLBCNR1HTR7

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-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 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-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885POLB 3390/4885CNR1 57/4885

“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.