SCHEMBL640983

SCHEMBL640983

COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CCCS(=O)(=O)N2CCN(C3CCN(C)CC3)CC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.44
HTR7 P34969 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
EBP Q15125 2/20 0.39
DHCR7 Q9UBM7 2/20 0.39
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL640984 1.00 BDKRB1 (0.44) BDKRB1HTR7TMEM97SIGMAR1EBP
SCHEMBL641104 1.00 BDKRB1 (0.44) BDKRB1HTR7TMEM97SIGMAR1EBP
SCHEMBL639575 0.97 BDKRB1 (0.43) BDKRB1HTR7TMEM97SIGMAR1EBP
SCHEMBL10205644 0.91 EBP (0.48) HTR7EBPDHCR7NPC1KDM4E
Hydrochloric Acid SCHEMBL640497 0.90 EBP (0.47) HTR7TMEM97EBPDHCR7NPC1
Hydrochloric Acid SCHEMBL640498 0.90 EBP (0.47) HTR7TMEM97EBPDHCR7NPC1
SCHEMBL10205646 0.88 EBP (0.47) HTR7EBPDHCR7NPC1KDM4E
Hydrochloric Acid SCHEMBL640993 0.87 EBP (0.47) HTR7TMEM97EBPDHCR7NPC1
SCHEMBL640597 0.86 HTR6 (0.37) BDKRB1HTR7TMEM97SIGMAR1EBP
SCHEMBL639412 0.83 HTR7 (0.39) HTR7EBPDHCR7KDM4EALDH1A1

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 6 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-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 BDKRB1 1/4885HTR7 905/4885TMEM97 1434/4885

“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.