SCHEMBL639908

SCHEMBL639908

O=S(=O)(CCC1CCN(S(=O)(=O)c2csc3ccccc23)C1)N1CCC(CCN2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.42
HTR7 P34969 15/20 0.42
HTR1A P08908 13/20 0.42
DRD2 P14416 13/20 0.42
HTR2A P28223 13/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRNA7 P36544 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10205625 0.77 TSHR (0.51) HTR6HTR7HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL3338129 0.77 TSHR (0.50) HTR6HTR7HTR1ADRD2HTR2A
SCHEMBL10205627 0.76 L3MBTL1 (0.43) HTR6HTR7HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL639140 0.75 L3MBTL1 (0.42) HTR6HTR7HTR1ADRD2HTR2A
SCHEMBL641654 0.73 KMT2A (0.49) HTR6HTR7HTR1ADRD2HTR2A
SCHEMBL639078 0.72 EBP (0.48) ALDH1A1
SCHEMBL21511854 0.71 HTR6 (0.46) HTR6HTR7DRD2HTR2AALDH1A1
SCHEMBL21512277 0.71 HTR6 (0.46) HTR6HTR7DRD2HTR2AALDH1A1
SCHEMBL3337535 0.71 EBP (0.38) HTR7ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL640337 0.70 EBP (0.37) HTR7ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US claimed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US claimed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
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
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 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 HTR6 792/4885HTR7 905/4885HTR1A 199/4885

“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.