SCHEMBL975100

SCHEMBL975100

O=P(O)(O)NN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
FDPS P14324 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.34
GFER P55789 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
MMP8 P22894 1/20 0.30

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
SCHEMBL1246277 0.77 MMP1 (0.50) MMP1MMP3CA12CA1CA2
SCHEMBL9342141 0.70 MAPT (0.38) MMP1MMP3MMP2MMP9FDPS
SCHEMBL9889358 0.65 MMP1 (0.41) MMP1MMP3MMP2MMP9FDPS
SCHEMBL1299741 0.61 FDPS (0.42) MMP1MMP3MMP2MMP9FDPS
Phosphoric Acid SCHEMBL8830222 0.61 FDPS (0.42) MMP1MMP3MMP2MMP9FDPS
Phosphoric Acid SCHEMBL5991225 0.59 FDPS (0.40) MMP1MMP3MMP2MMP9FDPS
SCHEMBL28736797 0.59 MAPT (0.46) MMP1MMP3MMP2MMP9FDPS
N-Methyl Pyrrolidine (Nmp) SCHEMBL21616463 0.59 FDPS (0.40) MMP1MMP3MMP2MMP9FDPS
SCHEMBL8028936 0.59 MAPT (0.46) MMP1MMP3MMP2MMP9FDPS
N-Methyl Pyrrolidine (Nmp) SCHEMBL28988048 0.59 FDPS (0.40) MMP1MMP3MMP2MMP9FDPS

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 43 patents — showing the first 20. 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
EP-1060182-B1 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2012-12-19 EP 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-7666855-B2 2′-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2010-02-23 US disclosed
US-20090131370-A1 Novel Nucleoside Derivatives METABASIS THERAPEUTICS , INC. (US) 2009-05-21 US disclosed
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
CN-101252839-A Novel 2 '-C-methyl and 4' -C-methyl nucleoside derivatives MERCK & CO INC (US) 2008-08-27 CN disclosed
US-6752981-B1 CYCLIC PHOSPH(ORAMID)ATE PRODRUGS HAVING ALCOHOL, AMINE, ORTHIOL GROUPS ATTACHED TO THE PHOSPHORUS IN THE C3N2P OR C3O2P RING METABASIS THERAPEUTICS, INC. 2004-06-22 US disclosed
EP-1210354-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY Metabasis Therapeutics, Inc. (US) 2002-06-05 EP disclosed
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. 2002-05-02 US disclosed
EP-1165570-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS Metabasis Therapeutics, Inc. (US) 2002-01-02 EP disclosed
US-6312662-B1 CONVERSION BY HUMAN LIVER MICROSOMES TO MPO3H2 METABASIS THERAPEUTICS, INC. 2001-11-06 US disclosed
WO-2001018013-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY METABASIS THERAPEUTICS, INC. (US) 2001-03-15 WO disclosed
EP-1060182-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS Metabasis Therapeutics, Inc. (US) 2000-12-20 EP disclosed
WO-2000052015-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2000-09-08 WO disclosed
WO-1999045016-A9 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2000-03-02 WO disclosed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 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-20090131370-A1 Novel Nucleoside Derivatives SLC29A1, SLC29A2, PNP MMP1 3466/4885MMP3 4011/4885MMP2 1812/4885
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 MMP1 2639/4885MMP3 2835/4885MMP2 2357/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 MMP1 4814/4885MMP3 4409/4885MMP2 4338/4885
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds CCRL2, CCR4, ALK MMP1 3894/4885MMP3 3174/4885MMP2 3321/4885
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 MMP1 2639/4885MMP3 2835/4885MMP2 2357/4885

“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.