SCHEMBL2569299

SCHEMBL2569299

CC(C)(C)OC(=O)NCc1ccc(-c2ccoc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
SDCBP O00560 1/20 0.47
SDC2 P34741 1/20 0.47
NAMPT P43490 2/20 0.46
GAA P10253 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HPN P05981 1/20 0.42
CYP17A1 P05093 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
GRM2 Q14416 1/20 0.41
PTGER2 P43116 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL1013779 0.85 SERPINE1 (0.49) HDAC1NAMPTCTSSCTSK
SCHEMBL3180689 0.82 L3MBTL1 (0.61) HDAC1L3MBTL1SDCBPSDC2NAMPT
SCHEMBL2567630 0.81 HDAC1 (0.57) HDAC1L3MBTL1SDCBPSDC2NAMPT
SCHEMBL1691047 0.81 HDAC1 (0.67) HDAC1L3MBTL1SDCBPSDC2NAMPT
SCHEMBL18664387 0.80 HDAC1 (0.53) HDAC1L3MBTL1SDCBPSDC2NAMPT
SCHEMBL18664525 0.80 GRM2 (0.57) HDAC1L3MBTL1SDCBPSDC2NAMPT
SCHEMBL23959162 0.79 HDAC1 (0.61) HDAC1L3MBTL1SDCBPSDC2NAMPT
SCHEMBL506891 0.79 CYP17A1 (0.61) HDAC1L3MBTL1SDCBPSDC2NAMPT
SCHEMBL30736827 0.79 HDAC1 (0.58) HDAC1L3MBTL1SDCBPSDC2NAMPT
SCHEMBL26328914 0.78 ADORA2A (0.39) HDAC1L3MBTL1NAMPTHDAC6CA1

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
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 HDAC1 2556/4885L3MBTL1 483/4885SDCBP 4725/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HDAC1 2720/4885L3MBTL1 342/4885SDCBP 4751/4885

“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.