SCHEMBL670502

SCHEMBL670502

CS(=O)(=O)OCc1cccc(N2CCOCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGXT P21549 3/20 0.64
MRGPRX4 Q96LA9 1/20 0.47
AOC3 Q16853 3/20 0.46
KMO O15229 1/20 0.46
ALKBH1 Q13686 1/20 0.45
MTOR P42345 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
RORC P51449 2/20 0.43
LMNA P02545 2/20 0.42
DRD2 P14416 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4052455 0.84 PKM (0.46) AGXTRORCLMNAL3MBTL1PKM
SCHEMBL671893 0.82 AGXT (0.57) AGXTKMOMTORHCRTR1HCRTR2
SCHEMBL14288609 0.81 AGXT (0.73) AGXTMRGPRX4AOC3KMOALKBH1
SCHEMBL12802015 0.81 GRM5 (0.47) AGXTAOC3RORCLMNADRD2
SCHEMBL671056 0.77 AGXT (0.58) AGXTAOC3KMOMTORLMNA
SCHEMBL4507051 0.76 AGXT (0.65) AGXTMRGPRX4KMOHCRTR1HCRTR2
SCHEMBL23647776 0.76 AGXT (0.57) AGXTKMOMTORLMNADRD2
SCHEMBL29866129 0.76 AGXT (0.50) AGXTKMOPTGS1PTGS2LMNA
SCHEMBL671665 0.76 GPR119 (0.55) LMNAMAPTALDH1A1
SCHEMBL28764461 0.76 AGXT (0.68) AGXTMRGPRX4AOC3KMOALKBH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
EP-2606050-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS Cellzome Limited (GB) 2013-06-26 EP disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 AGXT 2267/4885MRGPRX4 231/4885AOC3 824/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 AGXT 2102/4885MRGPRX4 228/4885AOC3 949/4885

“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.