SCHEMBL3083301

SCHEMBL3083301

Cc1nn(C)c2sc(CO)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.54
PIM2 Q9P1W9 1/20 0.54
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL12806939 0.84 PIM3 (0.51) PIM3PIM2ADORA2AADORA2BL3MBTL1
SCHEMBL1520260 0.78 MAPT (0.60) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13283350 0.76 PIM3 (0.57) PIM3PIM2ADORA2AADORA2BSMN1; SMN2
SCHEMBL6930385 0.74 PIM3 (0.46) PIM3PIM2ADORA2AADORA2BL3MBTL1
SCHEMBL1520694 0.71 PIM3 (0.74) PIM3PIM2L3MBTL1SMN1; SMN2MAPT
SCHEMBL20239461 0.71 PIM3 (0.74) PIM3PIM2L3MBTL1SMN1; SMN2MAPT
SCHEMBL12733934 0.70 PIM3 (0.51) PIM3PIM2ADORA2AADORA2BL3MBTL1
SCHEMBL13255847 0.70 PIM3 (0.51) PIM3PIM2ADORA2AADORA2BL3MBTL1
SCHEMBL27794953 0.70 PIM3 (0.51) PIM3PIM2ADORA2AADORA2BL3MBTL1
SCHEMBL1043176 0.70 PIM3 (0.72) PIM3PIM2L3MBTL1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 CN disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 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 (7 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 PIM3 749/4885PIM2 1120/4885ADORA2A 1159/4885
US-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT PIM3 1115/4885PIM2 1036/4885ADORA2A 616/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 PIM3 4213/4885PIM2 4457/4885ADORA2A 680/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 PIM3 762/4885PIM2 1132/4885ADORA2A 1110/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT PIM3 1392/4885PIM2 1230/4885ADORA2A 515/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 PIM3 4213/4885PIM2 4457/4885ADORA2A 680/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 PIM3 4213/4885PIM2 4457/4885ADORA2A 680/4885

“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.