SCHEMBL5128337

SCHEMBL5128337

O=C(COC1CCN(S(=O)(=O)c2ccccc2)C1)N1CCC(O)(c2ccccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL5128955 0.95 ALDH1A1 (0.45) ALDH1A1KDM4ETHRBATMHSD17B10
SCHEMBL5128076 0.94 ATM (0.46) ALDH1A1KDM4ETHRBATMNPC1
SCHEMBL5125291 0.93 GAA (0.43) ALDH1A1KDM4ETHRBGAAMEN1
SCHEMBL5131821 0.89 CCR2 (0.48) GAAKMT2ASMN1; SMN2HPGDLMNA
SCHEMBL5131323 0.88 HSD17B10 (0.45) ALDH1A1KDM4EHSD17B10GAAMEN1
SCHEMBL5128940 0.86 EPHX2 (0.40) MEN1KMT2APKMMAPK1
SCHEMBL5131253 0.86 CNR1 (0.40) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL5122795 0.85 SLC6A9 (0.42) ALDH1A1KDM4EGAACCR1
SCHEMBL5128387 0.85 BDKRB1 (0.38) ALDH1A1HSD17B10GAAMEN1KMT2A
SCHEMBL5131355 0.81 AVPR1A (0.46) ALDH1A1HSD17B10GAAMEN1KMT2A

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 ALDH1A1 2737/4885KDM4E 4132/4885THRB 742/4885

“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.