SCHEMBL1662674

SCHEMBL1662674

NC(=O)COc1cccc(CO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
GPBAR1 Q8TDU6 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
LMNA P02545 1/20 0.44
SPHK2 Q9NRA0 2/20 0.43
SPHK1 Q9NYA1 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
WDR5 P61964 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PDK2 Q15119 1/20 0.42

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
SCHEMBL1662603 0.85 PPARG (0.44) SMN1; SMN2PPARGPPARALMNASPHK2
SCHEMBL1816186 0.85 MAPK1 (0.54) TSHRSMN1; SMN2PPARGPPARALMNA
SCHEMBL4465276 0.84 LMNA (0.62) TSHRSMN1; SMN2PPARGPPARALMNA
SCHEMBL5131430 0.83 PLA2G4B (0.56) PPARGPPARALMNASPHK2SPHK1
SCHEMBL19501290 0.83 SMN1; SMN2 (0.55) TSHRSMN1; SMN2PPARGPPARAGPBAR1
SCHEMBL13839306 0.82 PLA2G4B (0.46) SMN1; SMN2PPARGPPARALMNASPHK2
SCHEMBL27869419 0.82 PPARA (0.49) SMN1; SMN2PPARGPPARALMNASPHK2
SCHEMBL13067951 0.81 PLA2G4B (0.51) TSHRSMN1; SMN2PPARGPPARALMNA
SCHEMBL12473907 0.81 MMP3 (0.44) SMN1; SMN2PPARGPPARALMNASPHK2
SCHEMBL5206825 0.80 KMT2A (0.54) TSHRSMN1; SMN2PPARGPPARACYSLTR1

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 5 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-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 TSHR 2253/4885SMN1; SMN2 4699/4885PPARG 1920/4885

“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.