SCHEMBL2570917

SCHEMBL2570917

CC(C)Oc1ccccc1-c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC1 Q13547 2/20 0.47
NAMPT P43490 2/20 0.47
SDCBP O00560 1/20 0.45
SDC2 P34741 1/20 0.45
KCNA5 P22460 1/20 0.45
AKT1 P31749 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
GRM2 Q14416 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MALT1 Q9UDY8 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SCN9A Q15858 1/20 0.41
RECQL P46063 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
SCHEMBL2571274 0.84 LMNA (0.55) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL8214975 0.83 HDAC1 (0.50) NPC1RAB9AHDAC1NAMPTSDCBP
SCHEMBL8212285 0.83 RORC (0.49) HDAC1NAMPTAKT1ALDH1A1LMNA
SCHEMBL2566826 0.82 ALDH1A1 (0.49) NPC1RAB9AHDAC1NAMPTSDCBP
SCHEMBL2573830 0.82 RXRA (0.53) NPC1RAB9AHDAC1NAMPTAKT1
SCHEMBL2570817 0.81 FAAH (0.52) HDAC1NAMPTAKT1ALDH1A1LMNA
SCHEMBL2573836 0.81 HDAC1 (0.57) HDAC1NAMPTSDCBPSDC2KCNA5
SCHEMBL2572733 0.81 FAAH (0.48) HDAC1NAMPTAKT1ALDH1A1LMNA
SCHEMBL21523879 0.79 NPC1 (0.64) NPC1RAB9AHDAC1NAMPTSDCBP
SCHEMBL1691047 0.79 HDAC1 (0.67) NPC1RAB9AHDAC1NAMPTSDCBP

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 NPC1 327/4885RAB9A 1174/4885HDAC1 2556/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP NPC1 357/4885RAB9A 1226/4885HDAC1 2720/4885

“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.