SCHEMBL18085631

SCHEMBL18085631

Cc1ccc(S(=O)(=O)N=S(=O)(c2ccc(Br)cc2)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ F2 P00734 4/20 0.41
▸ PRSS1 P07477 4/20 0.41
▸ PRSS2 P07478 4/20 0.41
▸ PRSS3 P35030 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL27438698 0.80 BCHE (0.40) ALDH1A1KMT2AMEN1F2PRSS1
SCHEMBL9385131 0.75 F2 (0.48) ALDH1A1KMT2AMEN1F2PRSS1
SCHEMBL17548190 0.75 CA2 (0.43) F2PRSS1PRSS2PRSS3
SCHEMBL17137317 0.73 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1F2PRSS1
SCHEMBL3366499 0.73 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1F2PRSS1
SCHEMBL27735833 0.71 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1F2PRSS1
SCHEMBL4616138 0.70 GAA (0.76) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL13241418 0.70 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL135563 0.69 F2 (0.53) ALDH1A1KMT2AMEN1F2PRSS1
SCHEMBL9738285 0.69 F2 (0.53) ALDH1A1KMT2AMEN1F2PRSS1

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 10 patents. 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-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-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 — — US disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 — — US disclosed
US-20160272632-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 — — US disclosed
US-20160272632-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 — — 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 (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-20160272632-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 2335/4885KMT2A 1159/4885MEN1 2076/4885
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 1154/4885KMT2A 3361/4885MEN1 4231/4885

“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.

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