SCHEMBL13430501

SCHEMBL13430501

C=CCN(C(=O)NCc1ccccc1)N(CC(=O)OCC)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 3/20 0.46
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.38
NAMPT P43490 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RIPK1 Q13546 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSK P43235 1/20 0.36
LMNA P02545 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PPIB P23284 1/20 0.35
PPIA P62937 1/20 0.35
PPIG Q13427 1/20 0.35
ATM Q13315 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL13430499 0.89 L3MBTL1 (0.39) ALDH1A1SMN1; SMN2RIPK1L3MBTL1CTSK
SCHEMBL13430488 0.84 PPID (0.51) PPIDMAPTALDH1A1NAMPTSMN1; SMN2
SCHEMBL3224116 0.77 PPID (0.43) PPIDMAPTALDH1A1NAMPTSMN1; SMN2
SCHEMBL14531434 0.75 PPID (0.58) PPIDMAPTALDH1A1NAMPTSMN1; SMN2
SCHEMBL3224087 0.73 PPID (0.56) PPIDMAPTALDH1A1NAMPTSMN1; SMN2
SCHEMBL1592273 0.73 PPID (0.56) PPIDMAPTNAMPTSMN1; SMN2MEN1
SCHEMBL2173674 0.72 MAPT (0.46) PPIDMAPTALDH1A1NAMPTSMN1; SMN2
SCHEMBL13430486 0.72 OPRM1 (0.44) PPIDSMN1; SMN2RIPK1CTSKLMNA
SCHEMBL3463439 0.71 L3MBTL1 (0.44) MAPTALDH1A1RIPK1L3MBTL1CTSK
SCHEMBL1052780 0.70 HDAC3 (0.53) PPIDALDH1A1SMN1; SMN2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2008-10-02 US 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-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
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 2446/4885ALDH1A1 1525/4885
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS NR3C1, RXFP3, NR2E3 PPID 4027/4885MAPT 4304/4885ALDH1A1 2925/4885
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO PPID 2040/4885MAPT 2031/4885ALDH1A1 380/4885
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS RXFP3, NR3C1, NR2E3 PPID 4026/4885MAPT 4249/4885ALDH1A1 3067/4885
US-20100069333-A1 ALPHA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS MCL1, HNF4A, THPO PPID 1965/4885MAPT 2031/4885ALDH1A1 470/4885

“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.