SCHEMBL5128611

SCHEMBL5128611

COc1cc(C)c(S(=O)(=O)N2CCC(OCCC(=O)N3CCC(O)(c4ccc(Br)cc4)CC3)C2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
BDKRB1 P46663 5/20 0.37
CCR1 P32246 4/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 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
SCHEMBL5131939 0.95 CCR1 (0.39) DRD2DRD4DRD3BDKRB1CCR1
SCHEMBL3842206 0.92 MEN1 (0.46) DRD2DRD4DRD3CCR1ALDH1A1
SCHEMBL3826444 0.92 HSD11B1 (0.42) DRD2DRD3BDKRB1CCR1ALDH1A1
SCHEMBL5122118 0.87 CCR1 (0.48) DRD2DRD4DRD3CCR1ALDH1A1
SCHEMBL3822483 0.85 MEN1 (0.44) ALDH1A1MEN1POLBTSHRKMT2A
SCHEMBL5128555 0.84 BDKRB1 (0.45) BDKRB1
SCHEMBL5125788 0.83 MEN1 (0.40) DRD2DRD4DRD3CCR1MEN1
SCHEMBL3824604 0.82 CYP46A1 (0.41) BDKRB1MEN1POLBKMT2A
SCHEMBL5131373 0.79 BDKRB1 (0.37) DRD2DRD4DRD3BDKRB1ALDH1A1
SCHEMBL5125343 0.79 BDKRB1 (0.39) BDKRB1ALDH1A1MEN1TSHRKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD2 1971/4885DRD4 3523/4885DRD3 2925/4885

“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.