SCHEMBL16129346

SCHEMBL16129346

CC1(C)CCCN1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MMP2 P08253 3/20 0.45
GAA P10253 1/20 0.43
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 2/20 0.42
MMP13 P45452 2/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL18065552 0.95 ALDH1A1 (0.57) ALDH1A1L3MBTL1MMP2MMP1MMP3
SCHEMBL16129195 0.90 ALDH1A1 (0.54) ALDH1A1L3MBTL1MMP2GAAMMP1
SCHEMBL21540450 0.83 MAPT (0.53) ALDH1A1L3MBTL1POLBLMNATSHR
SCHEMBL18065474 0.76 TSHR (0.54) ALDH1A1L3MBTL1HTTPOLBPKM
SCHEMBL16129345 0.76 ALDH1A1 (0.55) ALDH1A1L3MBTL1MMP2GAAMMP1
SCHEMBL3923966 0.76 ALDH1A1 (0.45) ALDH1A1L3MBTL1MMP2GAAMMP1
SCHEMBL21540563 0.75 ITGB1 (0.40) ALDH1A1PIK3CDPIK3CBPIK3CG
SCHEMBL2113354 0.74 USP2 (0.69) ALDH1A1GAAHTTPOLBPKM
SCHEMBL29040725 0.74 PKM (0.58) ALDH1A1MMP2GAAHTTPOLB
SCHEMBL16013324 0.72 HSD11B1 (0.62) ALDH1A1HTTGLALMNATSHR

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 20 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-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
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-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
US-9957265-B2 N-(2-cyano heterocyclyl) pyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
US-9957265-B2 N-(2-cyano heterocyclyl) pyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 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
EP-2976338-B1 N-(2-CYANO HETEROCYCLYL)PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-01-03 EP disclosed
US-20160272633-A1 N-(2-CYANO HETEROCYCLYL) PYRAZOLO 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
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
US-20160272633-A1 N-(2-CYANO HETEROCYCLYL) PYRAZOLO 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
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US 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 (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-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 1844/4885L3MBTL1 4354/4885MMP2 2193/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 ALDH1A1 1844/4885L3MBTL1 4354/4885MMP2 2193/4885
US-20160272632-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 2335/4885L3MBTL1 3657/4885MMP2 3746/4885
US-20160272633-A1 N-(2-CYANO HETEROCYCLYL) PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 2673/4885L3MBTL1 3429/4885MMP2 4165/4885

“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.