SCHEMBL1145362

SCHEMBL1145362

CC(C)(C)NS(=O)(=O)c1ccccc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
SLC22A12 Q96S37 3/20 0.50
POLB P06746 1/20 0.48
SLC40A1 Q9NP59 1/20 0.47
KAT6A Q92794 1/20 0.47
NSD2 O96028 2/20 0.46
ALOX5AP P20292 3/20 0.46
FEN1 P39748 3/20 0.46
BRD1 O95696 1/20 0.45
BRPF1 P55201 1/20 0.45
LMNA P02545 2/20 0.44
HSD11B1 P28845 1/20 0.44
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL14675990 0.82 POLB (0.49) ALDH1A1HTTSLC22A12POLBSLC40A1
SCHEMBL13885327 0.82 NSD2 (0.46) ALDH1A1SLC22A12NSD2ALOX5APFEN1
SCHEMBL13211030 0.81 ALDH1A1 (0.58) ALDH1A1HTTSLC22A12POLBSLC40A1
SCHEMBL2803354 0.80 NSD2 (0.58) ALDH1A1NSD2ALOX5APFEN1LMNA
SCHEMBL16261511 0.78 ALDH1A1 (0.43) ALDH1A1SLC22A12POLBNSD2ALOX5AP
SCHEMBL8224003 0.78 ALDH1A1 (0.53) ALDH1A1HTTSLC22A12POLBSLC40A1
SCHEMBL6238697 0.78 ALDH1A1 (0.53) ALDH1A1HTTSLC22A12POLBSLC40A1
SCHEMBL16000126 0.77 LMNA (0.54) ALDH1A1HTTSLC22A12POLBSLC40A1
SCHEMBL5002972 0.77 ALDH1A1 (0.53) ALDH1A1HTTSLC22A12POLBSLC40A1
SCHEMBL4405907 0.77 NSD2 (0.42) ALDH1A1NSD2ALOX5APFEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 ALDH1A1 4339/4885HTT 3663/4885SLC22A12 4809/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 ALDH1A1 4667/4885HTT 3482/4885SLC22A12 1696/4885

“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.