SCHEMBL13587103

SCHEMBL13587103

Cc1cc(S(=O)(=O)N2CCCCC2CCC(C)(C)C)c(C)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
HTR7 P34969 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1E P28566 1/20 0.40

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
SCHEMBL13692072 0.88 PSEN1 (0.59) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL13587272 0.86 PSEN1 (0.51) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL4119365 0.85 HCRTR1 (0.48) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL702335 0.84 HCRTR1 (0.53) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL4119314 0.81 HCRTR1 (0.53) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL2752693 0.81 HCRTR1 (0.53) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL2201553 0.81 HCRTR1 (0.49) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL5128978 0.77 HCRTR1 (0.50) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL3340732 0.76 KMT2A (0.48) HCRTR1HCRTR2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL641496 0.75 KMT2A (0.47) HCRTR1HCRTR2PSEN1PSEN2APH1B

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-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 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-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 HCRTR1 558/4885HCRTR2 652/4885PSEN1 938/4885

“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.