SCHEMBL2569231

SCHEMBL2569231

CCCOc1cccc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
SLC13A5 Q86YT5 1/20 0.53
ROCK2 O75116 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ROCK1 Q13464 1/20 0.51
FAAH O00519 3/20 0.48
EPHX1 P07099 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SDCBP O00560 1/20 0.44
SDC2 P34741 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
KMT2A Q03164 1/20 0.43
FDFT1 P37268 1/20 0.43
NAMPT P43490 1/20 0.43
HPN P05981 1/20 0.42

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
SCHEMBL2571743 0.94 FAAH (0.55) HDAC1SLC13A5ROCK2CYP3A4CYP2D6
SCHEMBL2569179 0.93 FAAH (0.52) HDAC1SLC13A5FAAHEPHX1
SCHEMBL2568970 0.90 HDAC1 (0.53) HDAC1SLC13A5FAAHEPHX1L3MBTL1
SCHEMBL2571157 0.90 HDAC1 (0.55) HDAC1FAAHEPHX1L3MBTL1SDCBP
SCHEMBL18664395 0.90 HDAC1 (0.53) HDAC1SLC13A5FAAHEPHX1L3MBTL1
SCHEMBL2571673 0.87 ROCK2 (0.54) HDAC1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL2566299 0.85 HDAC1 (0.58) HDAC1EPHX1KMT2A
SCHEMBL2574474 0.84 SLC13A5 (0.57) HDAC1SLC13A5ROCK2CYP3A4CYP2D6
SCHEMBL2570546 0.84 HDAC1 (0.52) HDAC1EPHX1KMT2A
SCHEMBL2564406 0.84 HDAC1 (0.52) HDAC1EPHX1L3MBTL1KMT2A

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 2556/4885SLC13A5 31/4885ROCK2 3396/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HDAC1 2720/4885SLC13A5 24/4885ROCK2 3426/4885

“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.