SCHEMBL702190

SCHEMBL702190

COc1cc(C)c(S(=O)(=O)N2c3ccccc3OCC2COCC(=O)N2CCC(CCCN3CCCC3)(c3cccnc3)CC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
BDKRB1 P46663 9/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
ADAMTS4 O75173 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
KIF11 P52732 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL701011 0.93 NPC1 (0.38) NPC1BDKRB1ALDH1A1LMNAMAPT
SCHEMBL700168 0.90 ADAMTS5 (0.33) NPC1BDKRB1ALDH1A1ADRA2AADRA2B
SCHEMBL700037 0.89 PSEN1 (0.39) BDKRB1ALDH1A1
SCHEMBL4299141 0.89 NPC1 (0.38) NPC1BDKRB1ALDH1A1LMNAADRA2A
SCHEMBL703139 0.85 BDKRB1 (0.39) BDKRB1ALDH1A1LMNAMAPT
SCHEMBL10246334 0.85 BDKRB1 (0.39) BDKRB1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL704835 0.85 BDKRB1 (0.38) BDKRB1ALDH1A1LMNAMAPT
SCHEMBL701062 0.85 TACR1 (0.34) NPC1LMNAADRA2AADRA2BADRA2C
SCHEMBL4299654 0.83 NPC1 (0.40) NPC1BDKRB1ALDH1A1LMNA
SCHEMBL702073 0.82 PSEN1 (0.40) BDKRB1

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 NPC1 1598/4885BDKRB1 11/4885ALDH1A1 958/4885

“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.