SCHEMBL2570189

SCHEMBL2570189

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.63
▸ NR1H4 Q96RI1 3/20 0.57
▸ EPHX2 P34913 2/20 0.57
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMO O15229 1/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HPN P05981 1/20 0.47
▸ RXRA P19793 2/20 0.47
▸ RXRB P28702 1/20 0.47
▸ SDCBP O00560 1/20 0.47
▸ SDC2 P34741 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ SUCNR1 Q9BXA5 1/20 0.47
▸ NR1H2 P55055 2/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 1/20 0.46

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
SCHEMBL16397304 0.91 FNTA (0.55) HDAC1NR1H4EPHX2KMORXRA
SCHEMBL2574484 0.89 HDAC1 (0.59) HDAC1NR1H4EPHX2NAMPTL3MBTL1
SCHEMBL5549803 0.88 HDAC1 (0.60) HDAC1NR1H4EPHX2NAMPTRXRA
SCHEMBL2569035 0.87 HDAC1 (0.57) HDAC1NR1H4EPHX2NAMPTL3MBTL1
SCHEMBL23959162 0.87 HDAC1 (0.61) HDAC1NR1H4EPHX2GAANAMPT
SCHEMBL1691047 0.87 HDAC1 (0.67) HDAC1NR1H4EPHX2LMNAGAA
SCHEMBL184425 0.85 NR1H4 (0.61) HDAC1NR1H4NAMPT
SCHEMBL2572854 0.85 HDAC1 (0.58) HDAC1NR1H4EPHX2LMNAHDAC2
SCHEMBL16410213 0.85 HDAC1 (0.48) HDAC1NR1H4EPHX2RXRARXRB
SCHEMBL2570147 0.85 HDAC1 (0.62) HDAC1GAANAMPTL3MBTL1HPN

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 2556/4885NR1H4 523/4885EPHX2 1259/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HDAC1 2720/4885NR1H4 519/4885EPHX2 942/4885

“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.

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