SCHEMBL4094980

SCHEMBL4094980

COc1c(C)cc(S(=O)(=O)N(C)CCO)c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
GSTO1 P78417 1/20 0.38
MEN1 O00255 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 2/20 0.36
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
AURKB Q96GD4 1/20 0.33
AURKAIP1 Q9NWT8 1/20 0.33
CYP19A1 P11511 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL12317312 0.81 BDKRB1 (0.40) ALDH1A1KDM4EHTTLMNASMN1; SMN2
SCHEMBL4081217 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EHTTLMNASMN1; SMN2
SCHEMBL4084750 0.77 BDKRB1 (0.40) ALDH1A1KDM4EHTT
SCHEMBL493181 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL571182 0.72 BDKRB1 (0.53)
SCHEMBL29733677 0.70 ALDH1A1 (0.57) ALDH1A1KDM4ELMNASMN1; SMN2PKM
SCHEMBL2307620 0.70 ALDH1A1 (0.57) ALDH1A1KDM4ELMNASMN1; SMN2PKM
SCHEMBL1038076 0.70 ALDH1A1 (0.57) ALDH1A1HTTLMNASMN1; SMN2PKM
SCHEMBL7200353 0.69 ALDH1A1 (0.53) ALDH1A1KDM4EHTTLMNASMN1; SMN2
SCHEMBL4028398 0.68 ACLY (0.49) ALDH1A1KDM4EHTTLMNAKMT2A

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-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 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-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 ALDH1A1 3693/4885KDM4E 3293/4885HTT 3626/4885

“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.