SCHEMBL701428

SCHEMBL701428

Cc1cc(S(=O)(=O)N2CCCCC2CCC(=O)N2CCC(CCCN3CCCC3)(c3cccnc3)CC2)c(C)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
BDKRB1 P46663 3/20 0.35
FKBP1A P62942 1/20 0.35
FKBP4 Q02790 1/20 0.35
FKBP5 Q13451 1/20 0.35
ADAM17 P78536 2/20 0.34
ADAMTS5 Q9UNA0 2/20 0.34
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
HTR7 P34969 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
SCHEMBL702287 0.96 HCRTR1 (0.36) HCRTR1HCRTR2BDKRB1FKBP1AFKBP4
SCHEMBL709415 0.91 BDKRB1 (0.39) HCRTR1HCRTR2BDKRB1FKBP1AFKBP4
SCHEMBL701280 0.90 BDKRB1 (0.40) HCRTR1HCRTR2BDKRB1FKBP1AFKBP4
SCHEMBL3442255 0.89 BDKRB1 (0.35) HCRTR1HCRTR2BDKRB1FKBP1AFKBP4
SCHEMBL3441953 0.88 BDKRB1 (0.35) HCRTR1HCRTR2BDKRB1FKBP1AFKBP4
SCHEMBL5128577 0.87 MEN1 (0.43) HCRTR1HCRTR2BDKRB1ALDH1A1POLB
SCHEMBL3441828 0.87 BDKRB1 (0.36) HCRTR1HCRTR2BDKRB1FKBP1AFKBP4
SCHEMBL3441613 0.87 BDKRB1 (0.36) HCRTR1HCRTR2BDKRB1FKBP1AFKBP4
Hydrochloric Acid SCHEMBL5125263 0.87 MEN1 (0.43) HCRTR1HCRTR2BDKRB1ALDH1A1POLB
SCHEMBL3441961 0.86 MCHR1 (0.35) HCRTR1HCRTR2BDKRB1FKBP1AFKBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US claimed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 HCRTR1 369/4885HCRTR2 351/4885BDKRB1 11/4885

“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.