SCHEMBL974218

SCHEMBL974218

O=[N+]([O-])c1ccc(OP2(=O)NCCC(c3ccccc3)O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
FAAH O00519 1/20 0.34
MMP2 P08253 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33

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
SCHEMBL17724920 0.79 CRYZ (0.36) HTTALDH1A1LMNACES2CES1
SCHEMBL3188157 0.79 CRYZ (0.36) HTTALDH1A1LMNACES2CES1
SCHEMBL15112222 0.79 CRYZ (0.36) HTTALDH1A1LMNACES2CES1
SCHEMBL3187832 0.79 CRYZ (0.36) HTTALDH1A1LMNACES2CES1
SCHEMBL3187838 0.79 CRYZ (0.36) HTTALDH1A1LMNACES2CES1
SCHEMBL3197086 0.79 CRYZ (0.36) HTTALDH1A1LMNACES2CES1
SCHEMBL17447006 0.79 CRYZ (0.36) HTTALDH1A1LMNACES2CES1
SCHEMBL3193463 0.78 NPC1 (0.39) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL3184512 0.78 NPC1 (0.39) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL974704 0.76 ALDH1A1 (0.37) HTTALDH1A1SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664195-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2014-03-04 US disclosed
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-8080536-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2011-01-13 US disclosed
US-7816345-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2010-10-19 US disclosed
US-20080125605-A1 Novel Phosphorus-Containing Prodrugs METABASIS THERAPEUTICS, INC. 2008-05-29 US disclosed
US-20070249564-A1 Novel phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2007-10-25 US disclosed
US-7205404-B1 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
EP-1165570-B9 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS INC (US) 2007-02-21 EP disclosed
EP-1165570-B1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS INC (US) 2006-08-23 EP disclosed
EP-1634886-A2 Novel phosphorus-containing prodrug Metabasis Therapeutics, Inc. (US) 2006-03-15 EP disclosed
EP-1165570-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS Metabasis Therapeutics, Inc. (US) 2002-01-02 EP disclosed
WO-2000052015-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2000-09-08 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-20080125605-A1 Novel Phosphorus-Containing Prodrugs PYGL, ALPI, SLC10A1 MEN1 1798/4885KMT2A 4597/4885HTT 4792/4885
US-20070249564-A1 Novel phosphorus-containing prodrugs PYGL, ALPI, SLC10A1 MEN1 1798/4885KMT2A 4597/4885HTT 4792/4885
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 MEN1 1798/4885KMT2A 4597/4885HTT 4792/4885
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 MEN1 1798/4885KMT2A 4597/4885HTT 4792/4885

“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.