SCHEMBL8342682

SCHEMBL8342682

CC(=O)NCc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLS O94925 6/20 0.55
KDM4A O75164 1/20 0.49
BRD4 O60885 3/20 0.48
CREBBP Q92793 1/20 0.47
BRD9 Q9H8M2 1/20 0.47
BAZ2B Q9UIF8 1/20 0.47
BAZ2A Q9UIF9 1/20 0.47
NAMPT P43490 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KIF11 P52732 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL7865700 0.88 GLS (0.58) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL13981921 0.88 GLS (0.55) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL1165088 0.88 GLS (0.55) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL16181822 0.88 GLS (0.55) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL30069429 0.88 GLS (0.55) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL15259134 0.87 L3MBTL1 (0.56) KDM4ANAMPTCA12CA1CA7
SCHEMBL5102152 0.87 GLS (0.54) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL3346015 0.87 GLS (0.54) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL851272 0.87 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL184953 0.87 GLS (0.54) GLSKDM4ABRD4CREBBPNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO 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-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A GLS 3952/4885KDM4A 999/4885BRD4 330/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 GLS 617/4885KDM4A 1967/4885BRD4 379/4885

“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.