SCHEMBL5085809

SCHEMBL5085809

COc1ccc(S(=O)(=O)N2CCC(OCC(=O)O)C2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GPBAR1 Q8TDU6 1/20 0.52
MAPT P10636 2/20 0.52
EPHX2 P34913 1/20 0.52
APEX1 P27695 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.49

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
SCHEMBL5122649 0.82 ALDH1A1 (0.54) MEN1KMT2APOLBGAA
SCHEMBL5131530 0.81 MEN1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5088924 0.80 LMNA (0.50) MEN1KMT2ASMN1; SMN2POLBGAA
SCHEMBL5093752 0.80 MAPT (0.55) KMT2AMAPTEPHX2POLBGAA
SCHEMBL5128634 0.78 EPHX2 (0.42) MEN1KMT2AEPHX2
SCHEMBL5125598 0.78 EPHX2 (0.49) TSHREPHX2
SCHEMBL4193880 0.77 EPHX2 (0.62) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4111436 0.76 BDKRB1 (0.41) TSHRMEN1KMT2AEPHX2
SCHEMBL5131323 0.76 HSD17B10 (0.45) TSHRMEN1KMT2AMAPTEPHX2
SCHEMBL5088878 0.76 CNR1 (0.52) MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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 (2 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 TSHR 645/4885HDAC3 2652/4885HDAC4 2924/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD TSHR 4051/4885HDAC3 66/4885HDAC4 275/4885

“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.