SCHEMBL4649831

SCHEMBL4649831

Nc1cccc(NS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.66
HTR6 P50406 2/20 0.56
CA1 P00915 5/20 0.55
KDM1A O60341 1/20 0.51
POLB P06746 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.46
DDX3X O00571 1/20 0.46
PTGS1 P23219 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
Hydrochloric Acid SCHEMBL9573567 0.98 CA2 (0.64) CA2HTR6CA1KDM1APOLB
SCHEMBL17526253 0.82 HTR6 (0.56) CA2HTR6CA1POLBDDX3X
SCHEMBL5250781 0.79 CA2 (0.61) CA2CA1KDM1APTPN1PTPN11
SCHEMBL6426214 0.79 CA2 (0.61) CA2CA1PTPN11MEN1GAA
SCHEMBL9200704 0.79 CA2 (0.61) CA2CA1KDM1APTPN1PTPN11
SCHEMBL12153756 0.79 CA2 (0.61) CA2CA1KDM1APTPN1PTPN11
SCHEMBL30990110 0.79 CA2 (0.61) CA2CA1PTPN11MEN1GAA
SCHEMBL7118308 0.79 CA2 (0.61) CA2CA1KDM1APTPN1PTPN11
SCHEMBL4049597 0.77 CA2 (0.67) CA2CA1PTPN1PTPN11MEN1
SCHEMBL8547020 0.77 HTR6 (0.62) CA2HTR6CA1POLBDDX3X

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714667-B1 AMINOOXAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES DESAI LAXMAN S (US) 2020-11-25 EP disclosed
EP-2714667-B1 AMINOOXAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES DESAI LAXMAN S (US) 2020-11-25 EP disclosed
US-8865709-B2 Aminooxazole inhibitors of cyclin dependent kinases Neosome Life Sciences, LLC (US) 2014-10-21 US disclosed
US-8865709-B2 Aminooxazole inhibitors of cyclin dependent kinases Neosome Life Sciences, LLC (US) 2014-10-21 US disclosed
US-8865709-B2 Aminooxazole inhibitors of cyclin dependent kinases Neosome Life Sciences, LLC (US) 2014-10-21 US disclosed
US-20140051694-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases Neosome Life Sciences, LLC (US) 2014-02-20 US disclosed
US-20140051694-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases Neosome Life Sciences, LLC (US) 2014-02-20 US disclosed
US-8551992-B2 Aminooxazole inhibitors of cyclin dependent kinases Neosome Life Sciences, LLC (US) 2013-10-08 US disclosed
US-8551992-B2 Aminooxazole inhibitors of cyclin dependent kinases Neosome Life Sciences, LLC (US) 2013-10-08 US disclosed
US-8551992-B2 Aminooxazole inhibitors of cyclin dependent kinases Neosome Life Sciences, LLC (US) 2013-10-08 US disclosed
US-20130184288-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases Neosome Life Sciences, LLC (US) 2013-07-18 US disclosed
US-20120302578-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases Neosome Life Sciences, LLC (US) 2012-11-29 US disclosed
US-20120302578-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases Neosome Life Sciences, LLC (US) 2012-11-29 US disclosed
US-20120302578-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases Neosome Life Sciences, LLC (US) 2012-11-29 US disclosed
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1966210-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2007071393-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
CN-1074216-A Urea derivative GLAXO GROUP LTD (GB) 1993-07-14 CN disclosed
WO-1993008175-A1 BENZODIAZEPINE DERIVATIVES AS ANTAGONISTS OF GASTRIN AND/OR CHOLECYSTOKININ GLAXO GROUP LIMITED (GB) 1993-04-29 WO disclosed
EP-0538945-A1 Benzodiazepine derivatives, and their use as antagonists of gastrin and/or cholecystokinin GLAXO GROUP LIMITED (GB) 1993-04-28 EP 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 (4 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-20130184288-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases CDK1, CCNK, CCNI CA2 2537/4885HTR6 3264/4885CA1 1400/4885
US-20120302578-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases CDK1, CCNK, CCNI CA2 2537/4885HTR6 3264/4885CA1 1400/4885
US-20140051694-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases CDK1, CCNK, CCNI CA2 2537/4885HTR6 3264/4885CA1 1400/4885
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors GRK4, JAK2, ALK CA2 2347/4885HTR6 3288/4885CA1 3227/4885

“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.