SCHEMBL4677112

SCHEMBL4677112

CCOC(=O)/C(CSc1ccc(C)cc1)=N\O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
KYAT1 Q16773 1/20 0.42
POLB P06746 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42

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
SCHEMBL4677116 1.00 SMN1; SMN2 (0.44) SMN1; SMN2HTTL3MBTL1GAAALDH1A1
SCHEMBL4677261 0.86 NPC1 (0.49) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
SCHEMBL4677259 0.86 NPC1 (0.49) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
SCHEMBL4673987 0.81 CTBP2 (0.57) SMN1; SMN2HTTL3MBTL1MAPTRAB9A
SCHEMBL4673984 0.81 CTBP2 (0.57) SMN1; SMN2HTTL3MBTL1MAPTRAB9A
SCHEMBL3162185 0.77 L3MBTL1 (0.60) SMN1; SMN2L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL20543730 0.76 CTBP2 (0.65) SMN1; SMN2HTTGAAMEN1KMT2A
SCHEMBL20543731 0.76 CTBP2 (0.65) SMN1; SMN2HTTGAAMEN1KMT2A
SCHEMBL15396130 0.75 MAPT (0.44) SMN1; SMN2HTTGAAALDH1A1MAPT
SCHEMBL4677949 0.74 RAB9A (0.53) SMN1; SMN2HTTL3MBTL1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP claimed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP claimed
US-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 US claimed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP claimed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US claimed
US-20030013657-A1 Pyruvate derivatives MONSANTO TECHNOLOGY, LLC. 2003-01-16 US claimed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 WO claimed
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP disclosed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP disclosed
US-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6900218-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP disclosed
US-6608196-B2 Structurally diverse; parallel approach GALILEO PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20030100750-A1 Process for solid supported synthesis of pyruvate-derived compounds EDISON PHARMACEUTICALS, INC. 2003-05-29 US disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 US disclosed
US-20030013657-A1 Pyruvate derivatives MONSANTO TECHNOLOGY, LLC. 2003-01-16 US disclosed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 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-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 SMN1; SMN2 904/4885HTT 870/4885L3MBTL1 473/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 SMN1; SMN2 1884/4885HTT 1664/4885L3MBTL1 430/4885
US-20030100750-A1 Process for solid supported synthesis of pyruvate-derived compounds PC, PDK4, PDK1 SMN1; SMN2 2445/4885HTT 2689/4885L3MBTL1 1932/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 SMN1; SMN2 1884/4885HTT 1664/4885L3MBTL1 430/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 SMN1; SMN2 1884/4885HTT 1664/4885L3MBTL1 430/4885

“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.