Sugi Predict

Sugi Predict / Compounds / SCHEMBL2834532

SCHEMBL2834532

SCHEMBL2834532

O=S(=O)(NC1CCCCC1)c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 1.00
▸ HTT P42858 1/20 1.00
▸ SMN1; SMN2 Q16637 3/20 0.79
▸ KDM4E B2RXH2 1/20 0.79
▸ RECQL P46063 1/20 0.79
▸ ALDH1A1 P00352 9/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ LMNA P02545 4/20 0.64
▸ HPGD P15428 1/20 0.64
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ GAA P10253 2/20 0.61
▸ POLB P06746 1/20 0.56
▸ TP53 P04637 1/20 0.55
▸ MAPT P10636 1/20 0.55

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
SCHEMBL12719599 1.00 MAPK1 (1.00) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL13846055 1.00 MAPK1 (1.00) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL10082160 1.00 MAPK1 (1.00) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL3013547 0.95 MAPK1 (0.90) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL1659340 0.91 MAPK1 (0.83) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL24762156 0.83 MAPK1 (0.71) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL2196807 0.83 MAPK1 (0.71) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL2196811 0.83 MAPK1 (0.71) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL2197985 0.83 MAPK1 (0.71) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL3917510 0.83 HTT (0.71) MAPK1HTTSMN1; SMN2KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 — — EP disclosed
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 — — EP disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 — — EP disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 — — EP disclosed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 — — US disclosed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 — — US disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 — — US disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 — — US disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 — — US disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 — — US disclosed
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 — — WO disclosed
US-20080021039-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG 2008-01-24 — — US disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 — — EP disclosed
US-7279488-B2 Imidazopyridine-derivatives as inducible no-synthase inhibitors NYCOMED GMBH (DE) 2007-10-09 — — US disclosed
US-20060293302-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-12-28 — — US disclosed
CN-1856495-A Imidazopyridine Derivatives as Inducible NO-Synthase Inhibitors ALTANA PHARMA AG (DE) 2006-11-01 — — CN disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 — — WO disclosed
EP-1670796-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA Pharma AG (DE) 2006-06-21 — — EP disclosed
WO-2005030770-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-04-07 — — 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 (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-20060293302-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 MAPK1 586/4885HTT 4616/4885SMN1; SMN2 4215/4885
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, CYSLTR2 MAPK1 3444/4885HTT 3945/4885SMN1; SMN2 2618/4885
US-20080021039-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 MAPK1 586/4885HTT 4616/4885SMN1; SMN2 4215/4885
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 MAPK1 38/4885HTT 4662/4885SMN1; SMN2 4709/4885

“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.