SCHEMBL10040086

SCHEMBL10040086

CC(=O)c1nc(C)cn1S(=O)(=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL14151520 0.82 KDM4E (0.33) KDM4EGAAMEN1KMT2ANPSR1
SCHEMBL14151742 0.80 SORD (0.33) KDM4EGAATSHR
SCHEMBL10040085 0.74 KDM4E (0.31) KDM4EGAAMEN1KMT2ANPSR1
SCHEMBL12178905 0.73 SMN1; SMN2 (0.37) KDM4EGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL315622 0.73 HTT (0.33) MEN1KMT2AHPGDHTT
SCHEMBL10070241 0.69 SMN1; SMN2 (0.35) KDM4EGAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL13287986 0.69 SMN1; SMN2 (0.35) KDM4EALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL26241847 0.65 SMN1; SMN2 (0.36) KDM4EGAASMN1; SMN2KMT2A
SCHEMBL14903885 0.64 SMN1; SMN2 (0.37) KDM4EGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL9958507 0.64 GAA (0.35) KDM4EGAAALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2090334-B1 Imidazole based compounds, compositions comprising them and methods of their use LEXICON PHARMACEUTICALS INC (US) 2015-04-29 EP disclosed
US-8653126-B2 Imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-18 US disclosed
US-8404732-B2 Methods of treating ulcerative colitis LEXICON PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20130005775-A1 METHODS OF TREATING ULCERATIVE COLITIS LEXICON PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
EP-2537831-A1 IMIDAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-26 EP disclosed
US-20120316170-A1 Imidazole Derivative DAIICHI SANKYO COMPANY LIMITED (JP) 2012-12-13 US disclosed
US-8093267-B2 Methods of treating rheumatoid arthritis LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-20100113530-A1 S1P LYASE INHIBITORS FOR THE TREATMENT OF CEREBRAL MALARIA LEXICON PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100076030-A1 METHODS OF TREATING RHEUMATOID ARTHRITIS LEXICON PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-7649098-B2 Imidazole-based compounds, compositions comprising them and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2010-01-19 US disclosed
WO-2007100617-A2 IMIDAZOLE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2007-09-07 WO disclosed
US-20070208063-A1 Imidazole-based compounds, compositions comprising them and methods of their use OXFORD FINANCE LLC, AS COLLATERAL AGENT 2007-09-06 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 (5 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-20100113530-A1 S1P LYASE INHIBITORS FOR THE TREATMENT OF CEREBRAL MALARIA S1PR1, S1PR2, SPHK1 KDM4E 1565/4885GAA 1095/4885ALDH1A1 2838/4885
US-20070208063-A1 Imidazole-based compounds, compositions comprising them and methods of their use TPMT, INMT, NFKBIA KDM4E 2146/4885GAA 877/4885ALDH1A1 808/4885
US-20100076030-A1 METHODS OF TREATING RHEUMATOID ARTHRITIS SSB, NFKBIA, MPO KDM4E 3130/4885GAA 1053/4885ALDH1A1 318/4885
US-20130005775-A1 METHODS OF TREATING ULCERATIVE COLITIS SI, S1PR2, SPHK2 KDM4E 1186/4885GAA 895/4885ALDH1A1 248/4885
US-20120316170-A1 Imidazole Derivative S1PR2, S1PR1, SPHK2 KDM4E 1135/4885GAA 717/4885ALDH1A1 1568/4885

“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.