SCHEMBL2570546

SCHEMBL2570546

CC(C)(C)OC(=O)NCc1ccc(-c2cccc(OCCCOCc3ccccc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.52
PPARA Q07869 2/20 0.46
EPHX1 P07099 2/20 0.46
BCHE P06276 1/20 0.44
CNR2 P34972 1/20 0.44
HDAC2 Q92769 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
PPARG P37231 1/20 0.42
NTSR1 P30989 1/20 0.42
SMPD1 P17405 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
SCHEMBL2564406 0.98 HDAC1 (0.52) HDAC1PPARAEPHX1BCHECNR2
SCHEMBL2566299 0.90 HDAC1 (0.58) HDAC1EPHX1MEN1KMT2AADAMTS5
SCHEMBL2569250 0.88 MAPT (0.51) HDAC1HDAC2MEN1KMT2ANTSR1
SCHEMBL2572901 0.87 SUCNR1 (0.49) HDAC1HDAC2MEN1KMT2A
SCHEMBL2571226 0.87 L3MBTL1 (0.54) HDAC1BCHECNR2HDAC2MEN1
SCHEMBL2570260 0.87 ADAMTS5 (0.47) HDAC1EPHX1HDAC2ADAMTS5SMPD1
SCHEMBL2568970 0.86 HDAC1 (0.53) HDAC1EPHX1HDAC2ADAMTS5
SCHEMBL2571743 0.86 FAAH (0.55) HDAC1EPHX1CTSK
SCHEMBL2569179 0.85 FAAH (0.52) HDAC1EPHX1CTSKSMPD1
SCHEMBL2574298 0.84 MRGPRX4 (0.50) HDAC1EPHX1HDAC2ADAMTS5SMPD1

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 2556/4885PPARA 1218/4885EPHX1 1337/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HDAC1 2720/4885PPARA 986/4885EPHX1 1326/4885

“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.