SCHEMBL244843

SCHEMBL244843

CC(Cl)c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.49
MAPKAPK2 P49137 1/20 0.48
GRIA2 P42262 1/20 0.46
KIF11 P52732 1/20 0.45
NR3C1 P04150 1/20 0.44
BRD4 O60885 2/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 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
SCHEMBL10100499 0.85 KEAP1 (0.55) KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2
SCHEMBL245468 0.82 MEN1 (0.60) KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2
SCHEMBL4370199 0.82 KEAP1 (0.52) KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2
SCHEMBL698855 0.80 KEAP1 (0.70) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL28012269 0.79 ALDH1A1 (0.57) KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2
SCHEMBL13524566 0.78 KIF11 (0.56) KEAP1ALDH1A1SMN1; SMN2GRIA2KIF11
SCHEMBL6500176 0.78 SMN1; SMN2 (0.55) KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2
SCHEMBL20032300 0.77 ALDH1A1 (0.50) KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2
SCHEMBL28111698 0.76 KEAP1 (0.58) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL9921714 0.76 ALDH1A1 (0.45) KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2

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
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
EP-2588454-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-05-08 EP disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 WO disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 WO 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-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC KEAP1 1050/4885ALDH1A1 1442/4885SMN1; SMN2 3077/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC KEAP1 1050/4885ALDH1A1 1442/4885SMN1; SMN2 3077/4885

“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.