SCHEMBL640597

SCHEMBL640597

COc1cc(C)c(S(=O)(=O)N2CCCC2CCCCS(=O)(=O)N2CCN(C3CCN(C)CC3)CC2)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.37
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR7 P34969 4/20 0.36
HTR1A P08908 2/20 0.36
BDKRB1 P46663 2/20 0.35
EPHX2 P34913 1/20 0.35
AVPR1A P37288 2/20 0.35
EBP Q15125 1/20 0.34
DHCR7 Q9UBM7 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
AVPR1B P47901 3/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10205646 0.87 EBP (0.47) NPC1HTR7HTR1AEBPDHCR7
SCHEMBL641104 0.86 BDKRB1 (0.44) NPC1TDP1HTR7BDKRB1EBP
SCHEMBL640984 0.86 BDKRB1 (0.44) NPC1TDP1HTR7BDKRB1EBP
SCHEMBL640983 0.86 BDKRB1 (0.44) NPC1TDP1HTR7BDKRB1EBP
Hydrochloric Acid SCHEMBL640993 0.86 EBP (0.47) NPC1HTR7HTR1AEBPDHCR7
SCHEMBL10205644 0.84 EBP (0.48) NPC1HTR7HTR1AEBPDHCR7
SCHEMBL640104 0.84 HTR7 (0.40) HTR6HTR7HTR1AEPHX2TMEM97
SCHEMBL639575 0.84 BDKRB1 (0.43) NPC1TDP1HTR7BDKRB1EBP
Hydrochloric Acid SCHEMBL640498 0.83 EBP (0.47) NPC1HTR7HTR1AEBPDHCR7
Hydrochloric Acid SCHEMBL640497 0.83 EBP (0.47) NPC1HTR7HTR1AEBPDHCR7

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 7 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

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 792/4885NPC1 3845/4885TDP1 2523/4885

“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.