SCHEMBL4056748

SCHEMBL4056748

COc1c(NS(C)(=O)=O)cc(C2(C)CC2)cc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SCARB1 Q8WTV0 1/20 0.32
NEU3 Q9UQ49 1/20 0.32
ADRB3 P13945 2/20 0.31
PIK3CA P42336 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
SCHEMBL4031133 0.82 MAPK14 (0.35) MAPK14SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL13843676 0.77 L3MBTL1 (0.40) MAPK14SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL689060 0.75 ADRB3 (0.39) MAPK14SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL690060 0.75 MAPK14 (0.53) MAPK14SCARB1
SCHEMBL692913 0.74 MAPK14 (0.42) MAPK14SMN1; SMN2KDM4EHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL689965 0.74 MAPK14 (0.52) MAPK14SCARB1
SCHEMBL690277 0.72 MAPK14 (0.41) MAPK14SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL689520 0.72 ADRB3 (0.38) MAPK14SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL690158 0.72 ADRB3 (0.39) MAPK14SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL690159 0.72 METAP2 (0.40) MAPK14SMN1; SMN2KDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 EP claimed
EP-1745036-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-01-24 EP claimed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US claimed
WO-2005108387-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 WO claimed
US-20050245536-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-03 US claimed
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 EP disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 US disclosed
EP-1745036-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-01-24 EP disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 US disclosed
WO-2005108387-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 WO disclosed
US-20050245536-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-03 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 (3 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-20050245536-A1 Cytokine inhibitors IL1B, TNF, IL1A MAPK14 436/4885SMN1; SMN2 4459/4885KDM4E 4514/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A MAPK14 436/4885SMN1; SMN2 4459/4885KDM4E 4514/4885
US-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 MAPK14 2628/4885SMN1; SMN2 4611/4885KDM4E 3493/4885

“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.