SCHEMBL2570817

SCHEMBL2570817

CCCCOc1ccccc1-c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CTSK P43235 1/20 0.47
HDAC1 Q13547 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AKT1 P31749 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
NAMPT P43490 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GRM2 Q14416 1/20 0.43

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
SCHEMBL2572733 0.97 FAAH (0.48) FAAHKDM4EALDH1A1LMNAHTT
SCHEMBL2566826 0.94 ALDH1A1 (0.49) FAAHKDM4EALDH1A1LMNAHTT
SCHEMBL2573830 0.85 RXRA (0.53) KDM4EALDH1A1LMNAHTTHDAC1
SCHEMBL2572335 0.84 ALDH1A1 (0.59) FAAHKDM4EALDH1A1LMNAHTT
SCHEMBL10227120 0.81 FAAH (0.64) FAAHALDH1A1LMNAHDAC1SMN1; SMN2
SCHEMBL8212285 0.81 RORC (0.49) ALDH1A1LMNAHTTHDAC1AKT1
SCHEMBL8214975 0.81 HDAC1 (0.50) ALDH1A1LMNAHTTCTSKHDAC1
SCHEMBL2570917 0.81 NPC1 (0.48) ALDH1A1LMNAHTTCTSKHDAC1
SCHEMBL2571215 0.81 ALDH1A1 (0.58) FAAHKDM4EALDH1A1LMNAHTT
SCHEMBL2573836 0.79 HDAC1 (0.57) HDAC1AKT1NAMPTL3MBTL1GRM2

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 FAAH 2724/4885KDM4E 3863/4885ALDH1A1 1093/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP FAAH 2890/4885KDM4E 3787/4885ALDH1A1 1206/4885

“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.