SCHEMBL1662777

SCHEMBL1662777

COCCOc1cccc(COS(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NR3C1 P04150 1/20 0.43
GAA P10253 1/20 0.41
FFAR1 O14842 2/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
MAOB P27338 5/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CYP2D6 P10635 1/20 0.39
GGPS1 O95749 1/20 0.39

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
SCHEMBL1573205 0.90 TSHR (0.45) KDM4EALDH1A1FFAR1IDO1AGXT
SCHEMBL16097270 0.87 FFAR1 (0.46) FFAR1IDO1AGXTMAOBMRGPRX4
SCHEMBL1662558 0.85 CYP4F2 (0.44) ALDH1A1FFAR1MAOBDRD2DRD4
SCHEMBL5067887 0.83 CHRM2 (0.47) FFAR1IDO1AGXTMAOBMRGPRX4
SCHEMBL15923314 0.83 GGPS1 (0.54) CYP2D6GGPS1
SCHEMBL15924325 0.83 GGPS1 (0.54) CYP2D6GGPS1
SCHEMBL5636631 0.83 IDO1 (0.59) IDO1AGXTMAOB
SCHEMBL2617478 0.82 MAOB (0.57) FFAR1MAOB
SCHEMBL3593702 0.80 IDO1 (0.46) ALDH1A1IDO1AGXTMAOBDRD2
SCHEMBL8063113 0.79 CA2 (0.45) KDM4EALDH1A1NR3C1IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102666545-B As the heterocycle Pyrazolopyrimidine analogs of JAK inhibitor CELLZOME LTD. (GB) 2016-04-06 CN disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
CN-102666545-A Heterocyclyl pyrazolopyrimidine analogues as jak inhibitors CELLZOME LTD 2012-09-12 CN disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP 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 (1 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 KDM4E 621/4885ALDH1A1 2233/4885NR3C1 2216/4885

“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.