SCHEMBL972719

SCHEMBL972719

O=[N+]([O-])c1ccc(OP(=O)(O)Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.73
CA2 P00918 3/20 0.73
CES2 O00748 1/20 0.73
CES1 P23141 1/20 0.73
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
MAPK1 P28482 4/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 1/20 0.49
AKR1C3 P42330 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HSPB1 P04792 1/20 0.46
PKM P14618 1/20 0.45

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
P-Nitrophenylphosphate SCHEMBL28027358 0.85 CA1 (1.00) CA1CA2CES2CES1BCHE
P-Nitrophenylphosphate SCHEMBL35320 0.85 CA1 (1.00) CA1CA2CES2CES1BCHE
SCHEMBL223704 0.85 CES1 (1.00) CA1CA2CES2CES1BCHE
SCHEMBL972717 0.85 CA1 (0.67) CA1CA2CES2CES1BCHE
SCHEMBL851431 0.85 CA1 (0.67) CA1CA2CES2CES1BCHE
SCHEMBL5164301 0.84 CA1 (0.66) CA1CA2CES2CES1BCHE
P-Nitrophenylphosphate SCHEMBL3211717 0.83 CA1 (0.96) CA1CA2CES2CES1BCHE
SCHEMBL11588711 0.83 CES1 (0.96) CA1CA2CES2CES1BCHE
SCHEMBL11588705 0.83 CES1 (0.96) CA1CA2CES2CES1BCHE
Water SCHEMBL9045475 0.83 CES1 (0.96) CA1CA2CES2CES1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232183-B1 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LAB (US) 2006-01-18 EP claimed
WO-2023142803-A1 ANTIVIRAL COMPOUND AND USE THEREOF 北京恩泰伟医药科技有限公司 2023-08-03 WO disclosed
CN-115087659-A Antiviral compounds 吉利德科学公司 2022-09-20 CN disclosed
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-1724276-A1 Novel phosphorus-containing prodrugs Metabasis Therapeutics, Inc. (US) 2006-11-22 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 CA1 832/4885CA2 502/4885CES2 686/4885
US-20070249564-A1 Novel phosphorus-containing prodrugs PYGL, ALPI, SLC10A1 CA1 832/4885CA2 502/4885CES2 686/4885
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 CA1 832/4885CA2 502/4885CES2 686/4885
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 CA1 832/4885CA2 502/4885CES2 686/4885

“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.