SCHEMBL701011

SCHEMBL701011

COc1cc(C)c(S(=O)(=O)N2c3ccccc3OCC2COCC(=O)N2CCC(CCCN3CCCC3)(c3ccncc3)CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
BDKRB1 P46663 13/20 0.37
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CASP1 P29466 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL702190 0.93 NPC1 (0.37) NPC1BDKRB1ALDH1A1LMNAMAPT
SCHEMBL702073 0.89 PSEN1 (0.40) BDKRB1
SCHEMBL4299654 0.89 NPC1 (0.40) NPC1BDKRB1ALDH1A1LMNACYP3A4
SCHEMBL704619 0.84 BDKRB1 (0.40) BDKRB1ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL700983 0.84 LMNA (0.34) NPC1LMNAPOLBL3MBTL1
SCHEMBL4299141 0.83 NPC1 (0.38) NPC1BDKRB1ALDH1A1LMNA
SCHEMBL700168 0.83 ADAMTS5 (0.33) NPC1BDKRB1ALDH1A1MAPTSMN1; SMN2
SCHEMBL700037 0.82 PSEN1 (0.39) BDKRB1ALDH1A1GAA
SCHEMBL4302525 0.80 NPC1 (0.39) NPC1BDKRB1ALDH1A1LMNA
SCHEMBL3408612 0.78 TP53 (0.40) NPC1BDKRB1LMNAPOLBGAA

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.