SCHEMBL3595487

SCHEMBL3595487

CC(C)(C)OC(=O)N1CC(CC(=O)NS(=O)(=O)Cc2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.65
NAMPT P43490 1/20 0.48
YAP1 P46937 3/20 0.46
GPR119 Q8TDV5 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
NR1H2 P55055 1/20 0.43
KAT7 O95251 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
TACR1 P25103 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
BRD4 O60885 1/20 0.41
KAT6A Q92794 1/20 0.41
KAT5 Q92993 1/20 0.41
USP30 Q70CQ3 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
SCHEMBL3328561 0.84 STS (0.81) STSNAMPTGPR119CA12CA1
SCHEMBL38658608 0.81 STS (0.62) STSNAMPTGPR119KDM4EPKM
SCHEMBL24392548 0.80 NAMPT (0.50) STSNAMPTYAP1GPR119KDM4E
SCHEMBL1970651 0.79 STS (1.00) STSGPR119KDM4EPKM
SCHEMBL22089505 0.78 STS (0.90) STSGPR119KDM4EPKMJAK2
SCHEMBL28418216 0.78 STS (0.90) STSGPR119KDM4EPKMJAK2
SCHEMBL21098196 0.78 NR1H2 (0.48) STSNAMPTGPR119NR1H2
SCHEMBL8651537 0.77 NAMPT (0.61) STSNAMPTGPR119CA12CA1
SCHEMBL17736150 0.77 NAMPT (0.56) STSNAMPTGPR119KDM4EPKM
SCHEMBL30548819 0.76 STS (0.57) STSNAMPTGPR119KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069350-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2010-03-18 US disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
US-20080039437-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2008-02-14 US disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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 (3 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-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 STS 2526/4885NAMPT 133/4885YAP1 4627/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 STS 2643/4885NAMPT 255/4885YAP1 3233/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 STS 2548/4885NAMPT 155/4885YAP1 4629/4885

“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.