SCHEMBL3442255

SCHEMBL3442255

Cc1cc(S(=O)(=O)N2CCCCC2CCC(=O)N2CCC(OCCCN3CCCC3)(c3cccnc3)CC2)c(C)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.35
FKBP1A P62942 2/20 0.35
FKBP4 Q02790 1/20 0.35
FKBP5 Q13451 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
NAMPT P43490 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3441953 0.99 BDKRB1 (0.35) BDKRB1FKBP1AFKBP4FKBP5HCRTR1
SCHEMBL3441961 0.97 MCHR1 (0.35) BDKRB1FKBP1AFKBP4FKBP5HCRTR1
SCHEMBL3441828 0.96 BDKRB1 (0.36) BDKRB1FKBP1AFKBP4FKBP5HCRTR1
SCHEMBL3441613 0.95 BDKRB1 (0.36) BDKRB1FKBP1AFKBP4FKBP5HCRTR1
SCHEMBL4298951 0.93 BDKRB1 (0.35) BDKRB1FKBP1AFKBP4FKBP5HCRTR1
SCHEMBL701428 0.89 HCRTR1 (0.35) BDKRB1FKBP1AFKBP4FKBP5HCRTR1
SCHEMBL702287 0.87 HCRTR1 (0.36) BDKRB1FKBP1AFKBP4FKBP5HCRTR1
SCHEMBL5128577 0.86 MEN1 (0.43) BDKRB1HCRTR1HCRTR2ALDH1A1POLB
Hydrochloric Acid SCHEMBL5125263 0.85 MEN1 (0.43) BDKRB1HCRTR1HCRTR2ALDH1A1POLB
SCHEMBL4299018 0.84 HCRTR1 (0.36) BDKRB1FKBP1AHCRTR1HCRTR2

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-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US claimed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
EP-2262792-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 WO 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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 BDKRB1 1/4885FKBP1A 1066/4885FKBP4 2433/4885

“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.