SCHEMBL5125345

SCHEMBL5125345

CN(CCOCC(=O)N1CCC(O)(c2ccccn2)CC1)S(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.41
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 4/20 0.39
ADRB2 P07550 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5126333 0.92 KDM4E (0.46) BDKRB1KDM4EHSD17B10ADRB2TSHR
SCHEMBL5128553 0.88 BDKRB1 (0.39) BDKRB1HSD17B10TSHRALDH1A1
SCHEMBL5125430 0.87 BDKRB1 (0.42) BDKRB1KDM4EHSD17B10TSHRMAPK1
SCHEMBL5126182 0.86 BDKRB1 (0.46) BDKRB1KDM4EHSD17B10TSHRMAPK1
SCHEMBL5128655 0.86 TSHR (0.46) BDKRB1KDM4EHSD17B10TSHRMAPK1
SCHEMBL5131514 0.85 BDKRB1 (0.45) BDKRB1
SCHEMBL5131951 0.85 BDKRB1 (0.47) BDKRB1KDM4EHSD17B10ADRB2TSHR
SCHEMBL5125344 0.84 BDKRB1 (0.46) BDKRB1
SCHEMBL3821979 0.82 DRD2 (0.46) BDKRB1KDM4EADRB2KMT2A
SCHEMBL3822103 0.81 BDKRB1 (0.47) 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-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 1/4885KDM4E 4132/4885HSD17B10 4591/4885

“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.