SCHEMBL5123797

SCHEMBL5123797

COc1ccc(S(=O)(=O)N2CCCC2COCC(=O)N2CCC(O)(c3ccncc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
HTT P42858 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NAMPT P43490 1/20 0.42
CASP3 P42574 2/20 0.42
CASP7 P55210 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5132297 0.86 BDKRB1 (0.41) ALDH1A1TSHRCASP3CASP7CYP3A4
SCHEMBL5132321 0.86 ALDH1A1 (0.44) HSD11B1RAB9APAX8HTTALDH1A1
SCHEMBL5128422 0.82 ALDH1A1 (0.46) RAB9APAX8ALDH1A1CASP3CASP7
SCHEMBL14411693 0.80 BDKRB1 (0.43) HSD11B1RAB9AALDH1A1HCRTR2
SCHEMBL5123809 0.80 BDKRB1 (0.43) HSD11B1RAB9AALDH1A1HCRTR2
SCHEMBL3818678 0.80 ALDH1A1 (0.47) MEN1ALDH1A1LMNAKMT2ANAMPT
SCHEMBL5131956 0.79 FKBP1A (0.47) RAB9AMEN1ALDH1A1KMT2ACASP3
Hydrochloric Acid SCHEMBL5132139 0.79 ALDH1A1 (0.47) MEN1ALDH1A1LMNAKMT2ANAMPT
SCHEMBL5131948 0.79 BDKRB1 (0.42)
SCHEMBL14411784 0.79 MEN1 (0.44) HTTMEN1ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 HSD11B1 2319/4885RAB9A 2479/4885PAX8 3064/4885

“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.