SCHEMBL1663203

SCHEMBL1663203

CS(=O)(=O)Cc1ccccc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.43
HCRTR2 O43614 6/20 0.41
PTGS2 P35354 1/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HCRTR1 O43613 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HSD11B1 P28845 1/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
HTR2C P28335 1/20 0.34
CTSB P07858 1/20 0.34
OPRM1 P35372 2/20 0.34

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
SCHEMBL6011700 0.82 SLC6A2 (0.43) ADRA1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL7135459 0.78 HCRTR2 (0.45) HCRTR2SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL19742801 0.77 L3MBTL1 (0.36) ADRA1AOPRM1OPRL1
SCHEMBL17986291 0.74 SLC6A2 (0.42) ADRA1AHCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL16105822 0.74 PTGDR2 (0.44) PTGS2SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL2396949 0.72 TAAR1 (0.44) TSHR
SCHEMBL9256894 0.71 GABRA1 (0.41) MAPTTSHRCTSB
SCHEMBL12474580 0.71 PTGDR2 (0.44) HCRTR2PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL23162797 0.71 HSD11B1 (0.48) PTGS2MAOAMAOBHSD11B1HTR2C
SCHEMBL11828421 0.70 SLC6A4 (0.41) ADRA1AHCRTR2SLC6A2SLC6A4SLC6A3

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 ADRA1A 3632/4885HCRTR2 3387/4885PTGS2 641/4885

“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.