SCHEMBL4302525

SCHEMBL4302525

COc1cc(C)c(S(=O)(=O)N2c3ccccc3OCC2COCC(=O)N2CCC(OCCN3CCCC3)(c3cccc(F)c3)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
BDKRB1 P46663 16/20 0.36
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4294660 0.91 NPC1 (0.33) NPC1ALDH1A1
SCHEMBL4299654 0.90 NPC1 (0.40) NPC1BDKRB1ALDH1A1LMNA
SCHEMBL4299141 0.90 NPC1 (0.38) NPC1BDKRB1ALDH1A1LMNA
SCHEMBL4297681 0.89 BDKRB1 (0.39) BDKRB1
SCHEMBL4298342 0.86 LMNA (0.35) NPC1LMNA
SCHEMBL3441640 0.85 BDKRB1 (0.39) BDKRB1ALDH1A1KMT2A
SCHEMBL3441641 0.85 BDKRB1 (0.39) BDKRB1ALDH1A1KMT2A
SCHEMBL3411144 0.85 NPC1 (0.39) NPC1BDKRB1ALDH1A1KMT2ALMNA
SCHEMBL4300839 0.81 BDKRB1 (0.41) BDKRB1
SCHEMBL701011 0.80 NPC1 (0.38) NPC1BDKRB1ALDH1A1LMNA

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-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
US-20090264400-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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 NPC1 2705/4885BDKRB1 1/4885ALDH1A1 1956/4885

“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.