SCHEMBL701430

SCHEMBL701430

COc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2COCC(=O)N2CCC(CN3CCCC3)(c3cccnc3)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.39
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 2/20 0.37
CASP3 P42574 3/20 0.37
CASP7 P55210 3/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.36
CASP6 P55212 1/20 0.36
LMNA P02545 2/20 0.36
HSD11B1 P28845 2/20 0.36

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
SCHEMBL701431 1.00 BDKRB1 (0.39) BDKRB1ALDH1A1NAMPTCASP3CASP7
SCHEMBL10246317 0.93 BDKRB1 (0.39) BDKRB1ALDH1A1NAMPTCASP3CASP7
SCHEMBL703859 0.93 BDKRB1 (0.39) BDKRB1ALDH1A1NAMPTCASP3CASP7
Hydrochloric Acid SCHEMBL700086 0.92 BDKRB1 (0.39) BDKRB1ALDH1A1NAMPTCASP3CASP7
Hydrochloric Acid SCHEMBL707957 0.92 BDKRB1 (0.39) BDKRB1ALDH1A1NAMPTCASP3CASP7
SCHEMBL703139 0.92 BDKRB1 (0.39) BDKRB1ALDH1A1NAMPTCASP3CASP7
SCHEMBL10246334 0.92 BDKRB1 (0.39) BDKRB1ALDH1A1NAMPTCASP3CASP7
Hydrochloric Acid SCHEMBL704835 0.91 BDKRB1 (0.38) BDKRB1ALDH1A1NAMPTCASP3CASP7
SCHEMBL3442218 0.91 BDKRB1 (0.40) BDKRB1ALDH1A1NAMPTCASP3CASP7
SCHEMBL3442216 0.91 BDKRB1 (0.40) BDKRB1ALDH1A1NAMPTCASP3CASP7

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 11 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-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 BDKRB1 11/4885ALDH1A1 958/4885NAMPT 2136/4885

“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.