SCHEMBL5125897

SCHEMBL5125897

COc1cc(C)c(S(=O)(=O)N(C)CCOCCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.54
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5131949 0.92 BDKRB1 (0.64) BDKRB1
SCHEMBL5125896 0.91 BDKRB1 (0.56) BDKRB1
SCHEMBL5125827 0.88 BDKRB1 (0.50) BDKRB1
SCHEMBL5125927 0.85 BDKRB1 (0.51) BDKRB1ALDH1A1LMNA
SCHEMBL3813066 0.83 BDKRB1 (0.66) BDKRB1
SCHEMBL3810656 0.82 BDKRB1 (0.51) BDKRB1MEN1KMT2A
SCHEMBL3813821 0.82 BDKRB1 (0.64) BDKRB1
SCHEMBL5128650 0.81 BDKRB1 (0.54) BDKRB1
SCHEMBL5122667 0.78 BDKRB1 (0.61) BDKRB1
SCHEMBL3816859 0.78 BDKRB1 (0.61) BDKRB1ALDH1A1LMNA

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-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US claimed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 BDKRB1 1/4885MEN1 1340/4885ALDH1A1 2737/4885

“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.