SCHEMBL1363815

SCHEMBL1363815

CP(=O)(O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.73
CA2 P00918 2/20 0.73
CES2 O00748 1/20 0.73
CES1 P23141 1/20 0.73
ACHE P22303 2/20 0.58
BCHE P06276 1/20 0.58
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 3/20 0.57
MAPK1 P28482 3/20 0.57
CYP3A4 P08684 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
TP53 P04637 1/20 0.57
THRB P10828 1/20 0.57
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.51
GAA P10253 1/20 0.49
AKR1C3 P42330 1/20 0.49
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46

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) CA1CA2CES2CES1ACHE
P-Nitrophenylphosphate SCHEMBL35320 0.85 CA1 (1.00) CA1CA2CES2CES1ACHE
SCHEMBL223704 0.85 CES1 (1.00) CA1CA2CES2CES1ACHE
SCHEMBL1363813 0.85 CA1 (0.67) CA1CA2CES2CES1ACHE
SCHEMBL3932149 0.85 CA1 (0.67) CA1CA2CES2CES1ACHE
SCHEMBL11588711 0.83 CES1 (0.96) CA1CA2CES2CES1ACHE
P-Nitrophenylphosphate SCHEMBL3211717 0.83 CA1 (0.96) CA1CA2CES2CES1ACHE
P-Nitrophenylphosphate SCHEMBL3097581 0.83 CA1 (0.96) CA1CA2CES2CES1ACHE
Water SCHEMBL9045475 0.83 CES1 (0.96) CA1CA2CES2CES1ACHE
P-Nitrophenylphosphate SCHEMBL3095493 0.83 CA1 (0.96) CA1CA2CES2CES1ACHE

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20200109297-A1 ENZYMATIC ANTIMICROBIAL AND ANTIFOULING COATINGS AND POLYMERIC MATERIALS REACTIVE SURFACES, LTD., LLP (US) 2020-04-09 US disclosed
US-10413769-B2 Paint having cell wall particulate material with a protective organophosphorus esterase REACTIVE SURFACES, LTD., LLP (US) 2019-09-17 US disclosed
WO-2018204764-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION (US) 2018-11-08 WO disclosed
US-9834710-B2 Adhesive compositions and methods SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-12-05 US disclosed
CN-105237567-B A kind of preparation method containing fragrant methyl phosphonate 河北工业大学 2017-09-29 CN disclosed
US-20170197996-A1 Cholinesterase Inhibitors THE UNIVERSITY OF MONTANA (US) 2017-07-13 US disclosed
US-20170197996-A1 Cholinesterase Inhibitors THE UNIVERSITY OF MONTANA (US) 2017-07-13 US disclosed
US-20170022319-A1 ALIPHATIC POLYCARBONATE POLYOL COMPOSITIONS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-01-26 US disclosed
CN-101918369-B Uracil or thymine derivatives for the treatment of hepatitis C ABBVIE INC. (BS) 2016-02-24 CN disclosed
US-20040109853-A1 Detoxification surfaces using phosphoric triester hydrolases REACTIVE SURFACES, LTD. 2004-06-10 US disclosed
EP-1373307-A2 COVALENTLY REACTIVE TRANSITION STATE ANALOGS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2004-01-02 EP disclosed
US-20030078203-A1 Covalently reactive transition state analogs and methods of use thereof PAUL, SUDHIR, DR. 2003-04-24 US disclosed
WO-2002079223-A9 COVALENTLY REACTIVE TRANSITION STATE ANALOGS AND METHODS OF USE THEREOF UNIV TEXAS (US) 2003-01-09 WO disclosed
WO-2002079223-A2 COVALENTLY REACTIVE TRANSITION STATE ANALOGS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-10-10 WO disclosed
US-5807688-A ANTIBODY DIRECTED ANZYME PRODRUG THERAPY ZENECA LIMITED (GB) 1998-09-15 US disclosed
EP-0745673-A2 Catalytic antibody regulated prodrug therapy ZENECA LIMITED (GB) 1996-12-04 EP disclosed
US-5281523-A Adduct of serine hydrolase and nitrophenyl pnenacyl phosphonate THE CATHOLIC UNIVERSITY OF AMERICA (US) 1994-01-25 US disclosed
US-5110833-A Preparation of synthetic enzymes and synthetic antibodies and use of the thus prepared enzymes and antibodies MOSBACH KLAUS (SE) 1992-05-05 US disclosed
US-4041111-A PHOSPHONIC ACID DICHLORIDE REACTED WITH 2-NAPHTHOL OR 4-NITRO-PHENOL, HYDROLYSIS PURDUE RESEARCH FOUNDATION (US) 1977-08-09 US 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 (2 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-20170197996-A1 Cholinesterase Inhibitors BCHE, ACHE, BACE1 CA1 418/4885CA2 2259/4885CES2 264/4885
US-20030078203-A1 Covalently reactive transition state analogs and methods of use thereof SPR, FCGR3B, CD2 CA1 359/4885CA2 1654/4885CES2 170/4885

“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.