SCHEMBL5227849

SCHEMBL5227849

COc1cc(N(C)C(=O)OCc2ccccc2)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL27558112 0.78 CHRNB2 (0.56) ALDH1A1HPGDMAPTL3MBTL1MEN1
SCHEMBL10949296 0.78 SLC16A3 (0.57) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL5582815 0.77 ALDH1A1 (0.60) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL7958550 0.77 ALDH1A1 (0.55) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL12835337 0.77 ALDH1A1 (0.55) ALDH1A1HPGDMAPTL3MBTL1KMT2A
SCHEMBL12173013 0.76 ALDH1A1 (0.54) ALDH1A1HPGDMAPTL3MBTL1POLB
SCHEMBL23601799 0.75 HCAR2 (0.48) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL30013373 0.75 HCAR2 (0.48) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL27908567 0.75 LMNA (0.59) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL19316683 0.74 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKDM4EL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454897-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7-INHIBITORY ACTIVITY ASUBIO PHARMA CO LTD (JP) 2007-10-10 EP disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action OMEROS CORPORATION 2005-07-07 US disclosed
EP-1454897-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7−INHIBITORY ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-09-08 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 (1 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-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action PDE7B, PDE3B, PDE3A ALDH1A1 711/4885HPGD 514/4885MAPT 4356/4885

“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.