SCHEMBL16100653

SCHEMBL16100653

O=S1(=O)c2ccc(Br)cc2C(O)C12CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
SLC10A2 Q12908 2/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
VEGFA P15692 1/20 0.32
EPAS1 Q99814 1/20 0.32
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CTSL P07711 1/20 0.30
PTGDR Q13258 1/20 0.30

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
SCHEMBL16126906 0.87 JAK2 (0.39) CA1CA2JAK2JAK1SLC10A2
SCHEMBL16126803 0.76 CA1 (0.42) CA1CA2JAK2JAK1SLC10A2
SCHEMBL1371402 0.67 PTGDR2 (0.41) CA1CA2SLC10A2ALDH1A1POLB
SCHEMBL14808551 0.66 CA2 (0.44) CA1CA2JAK2JAK1SLC10A2
SCHEMBL25042870 0.64 CA1 (0.42) CA1CA2SLC10A2ALDH1A1POLB
SCHEMBL31396119 0.64 CA2 (0.40) CA1CA2SLC10A2CAMK2AVEGFA
SCHEMBL30275162 0.64 CA1 (0.42) CA1CA2SLC10A2ALDH1A1POLB
SCHEMBL25042684 0.64 CA1 (0.42) CA1CA2SLC10A2ALDH1A1POLB
SCHEMBL16101715 0.62 CA1 (0.39) CA1CA2VEGFABACE1BACE2
SCHEMBL2589648 0.62 VEGFA (0.39) CA1CA2SLC10A2CAMK2AVEGFA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-08-28 US disclosed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP disclosed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
EP-2976341-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 EP disclosed
WO-2014146493-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
WO-2014146493-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 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-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 CA1 3144/4885CA2 1790/4885JAK2 2/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 CA1 3144/4885CA2 1790/4885JAK2 2/4885

“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.