SCHEMBL3225864

SCHEMBL3225864

CCOC(=O)CN(C)N=C(NCc1ccccc1)OC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 3/20 0.48
MAPT P10636 2/20 0.38
RIPK1 Q13546 1/20 0.38
CTSK P43235 2/20 0.37
MMP8 P22894 2/20 0.37
NAMPT P43490 1/20 0.37
LMNA P02545 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PPIB P23284 1/20 0.37
PPIA P62937 1/20 0.37
PPIG Q13427 1/20 0.37
LTA4H P09960 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3224116 0.84 PPID (0.43) PPIDMAPTRIPK1CTSKNAMPT
SCHEMBL13430488 0.75 PPID (0.51) PPIDMAPTRIPK1CTSKNAMPT
SCHEMBL13358954 0.74 HDAC1 (0.37) RIPK1CTSKNAMPTLMNACA12
SCHEMBL14531434 0.72 PPID (0.58) PPIDMAPTRIPK1CTSKNAMPT
SCHEMBL1285009 0.69 PPID (0.64) PPIDMAPTNAMPTLMNAPPIB
SCHEMBL13430501 0.67 PPID (0.46) PPIDMAPTRIPK1CTSKNAMPT
SCHEMBL1052780 0.66 HDAC3 (0.53) PPIDLMNACTSLCTSBCTSS
Propionic Acid SCHEMBL8139542 0.66 CA12 (0.61) PPIDRIPK1CTSKNAMPTLMNA
SCHEMBL12643825 0.66 PPID (1.00) PPIDMAPTNAMPTLMNAPPIB
SCHEMBL7745572 0.66 CTSL (0.53) PPIDLMNACTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957516-B1 ALFA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS CHOONGWAE PHARMA CORP (KR) 2016-03-09 EP disclosed
US-8293743-B2 Substituted imidazo[1,2-A]pyrazine derivatives as alpha-helix mimetics and method relating to the treatment of cancer stem cells CHOONGWAE PHARMA CORPORATION (KR) 2012-10-23 US disclosed
US-20100069333-A1 ALPHA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS CHOONGWAE PHARMA CORPORATION (KR) 2010-03-18 US disclosed
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2009-07-09 US disclosed
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2008-10-02 US disclosed
EP-1957516-A2 ALFA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS Choongwae Pharma Corporation (KR) 2008-08-20 EP disclosed
US-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders INSTITUTE FOR CHEMICAL GENOMICS 2008-01-10 US disclosed
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells INSTITUTE FOR CHEMICAL GENOMICS 2007-06-07 US disclosed
WO-2007056513-A1 α-HELIX MIMETICS AND METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS INSTITUTE FOR CHEMICAL GENOMICS (US) 2007-05-18 WO disclosed
WO-2007056593-A2 α-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS CHOONGWAE PHARMA CORPORATION (KR) 2007-05-18 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 (5 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-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders COL1A1, COL2A1, PLOD3 PPID 2217/4885MAPT 2446/4885RIPK1 2376/4885
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS NR3C1, RXFP3, NR2E3 PPID 4027/4885MAPT 4304/4885RIPK1 1896/4885
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO PPID 2040/4885MAPT 2031/4885RIPK1 3485/4885
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS RXFP3, NR3C1, NR2E3 PPID 4026/4885MAPT 4249/4885RIPK1 1680/4885
US-20100069333-A1 ALPHA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS MCL1, HNF4A, THPO PPID 1965/4885MAPT 2031/4885RIPK1 3328/4885

“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.