SCHEMBL571080

SCHEMBL571080

Nc1nc2c(c(=O)[nH]1)NCN2CCC(O)CO

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.60
NOS1 P29475 3/20 0.34
USP2 O75604 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PAH P00439 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9663134 0.93 HPRT1 (0.55) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL711245 0.90 HPRT1 (0.55) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL146837 0.89 HPRT1 (0.58) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL11218913 0.88 HPRT1 (0.50) HPRT1
SCHEMBL7192798 0.88 HPRT1 (0.57) HPRT1NOS1USP2CASP7HSD17B10
Water SCHEMBL10414024 0.88 HPRT1 (0.57) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL7197096 0.88 HPRT1 (0.57) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL7142937 0.87 HPRT1 (0.64) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL9116476 0.87 HPRT1 (0.54) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL10916964 0.86 HPRT1 (0.56) HPRT1NOS1USP2CASP7HSD17B10

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 97 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 claimed
EP-1060182-B1 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2012-12-19 EP claimed
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2012-04-19 US claimed
US-8080536-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2011-12-20 US claimed
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2011-01-13 US claimed
US-7816345-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2010-10-19 US claimed
EP-1594987-B1 NUCLEIC ACID SEQUENCING METHODS, KITS AND REAGENTS GENEFORM TECHNOLOGIES LTD (GB) 2009-05-27 EP claimed
US-20080125605-A1 Novel Phosphorus-Containing Prodrugs METABASIS THERAPEUTICS, INC. 2008-05-29 US claimed
US-7205404-B1 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2007-04-17 US claimed
EP-1165570-B9 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS INC (US) 2007-02-21 EP claimed
EP-1165570-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS Metabasis Therapeutics, Inc. (US) 2002-01-02 EP claimed
US-6312662-B1 CONVERSION BY HUMAN LIVER MICROSOMES TO MPO3H2 METABASIS THERAPEUTICS, INC. 2001-11-06 US claimed
EP-1060182-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS Metabasis Therapeutics, Inc. (US) 2000-12-20 EP claimed
WO-2000052015-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2000-09-08 WO claimed
WO-1999045016-A9 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2000-03-02 WO claimed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 WO claimed
EP-0055239-B1 NOVEL DERIVATIVES OF GUANINE Astra Läkemedel Aktiebolag (SE) 1986-07-16 EP claimed
US-4495190-A VIRICIDES; ANTITUMOR AND ANTICARCINOGENIC AGENTS ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1985-01-22 US claimed
WO-1982002202-A1 NOVEL DERIVATIVES OF GUANINE ASTRA LAEKEMEDEL AB (SE) 1982-07-08 WO claimed
EP-0055239-A1 Novel derivatives of guanine Astra Läkemedel Aktiebolag (SE) 1982-06-30 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 HPRT1 227/4885NOS1 3670/4885USP2 4282/4885
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 HPRT1 227/4885NOS1 3670/4885USP2 4282/4885
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 HPRT1 227/4885NOS1 3670/4885USP2 4282/4885

“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.