SCHEMBL4673796

SCHEMBL4673796

CCOC(=O)C(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.57
PLA2G1B P04054 1/20 0.57
ATG4B Q9Y4P1 1/20 0.57
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
HTT P42858 7/20 0.53
ALDH1A1 P00352 7/20 0.53
GAA P10253 1/20 0.53
GCGR P47871 1/20 0.53
SENP1 Q9P0U3 1/20 0.52
MAPK1 P28482 1/20 0.51
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
KCNH2 Q12809 1/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL4678921 0.91 MAPT (0.70) MAPTPLA2G1BATG4BMEN1KMT2A
SCHEMBL7249161 0.90 MAPT (0.58) MAPTPLA2G1BATG4BMEN1KMT2A
SCHEMBL4675197 0.85 POLB (0.51) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4674103 0.82 NPC1 (0.55) MAPTALDH1A1GCGRMAPK1LMNA
SCHEMBL4678420 0.81 POLB (0.47) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4677063 0.80 POLB (0.47) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4674283 0.80 POLB (0.69) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL19246210 0.78 MAPT (0.68) MAPTPLA2G1BATG4BMEN1KMT2A
SCHEMBL18757839 0.77 ALDH1A1 (0.56) MAPTPLA2G1BATG4BMEN1KMT2A
SCHEMBL2449511 0.77 SMN1; SMN2 (0.50) MAPTHTTALDH1A1GAASMN1; SMN2

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 15 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
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
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-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 (4 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 MAPT 1203/4885PLA2G1B 1749/4885ATG4B 1826/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 MAPT 851/4885PLA2G1B 2624/4885ATG4B 2876/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 MAPT 851/4885PLA2G1B 2624/4885ATG4B 2876/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 MAPT 851/4885PLA2G1B 2624/4885ATG4B 2876/4885

“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.