SCHEMBL598436

SCHEMBL598436

O=C(O)C(Cc1ccccc1)N([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 8/20 0.54
▸ CYP1A2 P05177 1/20 0.48
▸ ALPI P09923 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ XIAP P98170 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ ADAMTS5 Q9UNA0 2/20 0.44
▸ CPA3 P15088 2/20 0.43
▸ FOLH1 Q04609 1/20 0.43
▸ CPB1 P15086 1/20 0.43
▸ CPB2 Q96IY4 1/20 0.43
▸ SRR Q9GZT4 1/20 0.42
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42

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
SCHEMBL598437 1.00 CPA1 (0.54) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL432795 0.87 SLC7A5 (0.49) CPA1SLC7A5FOLH1
SCHEMBL432794 0.87 SLC7A5 (0.49) CPA1SLC7A5FOLH1
SCHEMBL6013489 0.83 CPA1 (0.51) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL6013488 0.83 CPA1 (0.51) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL16735767 0.81 CPA1 (0.49) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL599387 0.80 TSHR (0.46) CYP1A2
SCHEMBL9614485 0.79 CPA1 (0.47) CPA1CYP1A2ALPIPKMPTGS1
SCHEMBL20856984 0.76 FNTA (0.47) CPA1SLC7A5
SCHEMBL7364031 0.76 CPA1 (0.44) CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114648-B2 In vivo incorporation of unnatural amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2012-02-14 — — US claimed
US-20080167243-A1 immunizing a subject with a sufficient amount of a translated polypeptide to produce antibody; containing a phenylalanine or tyrosine derivative analoges THE SCRIPPS RESEARCH INSTITUTE 2008-07-10 — — US claimed
EP-1154802-A1 METHOD OF MEASURING PHYSIOLOGICAL FUNCTION Mallinckrodt Inc. (US) 2001-11-21 — — EP claimed
WO-2000050093-A1 METHOD OF MEASURING PHYSIOLOGICAL FUNCTION MALLINCKRODT INC. (US) 2000-08-31 — — WO claimed
CN-115160425-A Rice mutant protein with high dinitroaniline herbicide resistance and corresponding gene 安徽省农业科学院水稻研究所 2022-10-11 — — CN disclosed
CN-114989282-A Rice mutant protein resisting dinitroaniline herbicide and application thereof 安徽省农业科学院水稻研究所 2022-09-02 — — CN disclosed
CN-114540374-A High-herbicide-resistance plant gene mutant and corresponding vector and application 安徽农业大学 2022-05-27 — — CN disclosed
CN-114478731-A Herbicide-resistant rice mutant protein and application thereof 安徽农业大学 2022-05-13 — — CN disclosed
US-20080051317-A1 Polypeptides comprising unnatural amino acids, methods for their production and uses therefor CODON DEVICES, INC. 2008-02-28 — — US disclosed
WO-2007075438-A2 POLYPEPTIDES COMPRISING UNNATURAL AMINO ACIDS, METHODS FOR THEIR PRODUCTION AND USES THEREFOR CODON DEVICES, INC. (US) 2007-07-05 — — WO disclosed
EP-1192458-B1 OPTICAL SENSOR FOR POTASSIUM IONS ANDREAE FRITZ (AT) 2003-04-16 — — EP disclosed
EP-1192458-A1 OPTICAL SENSOR FOR POTASSIUM IONS Andreae, Fritz (AT) 2002-04-03 — — EP disclosed
EP-1154802-A1 METHOD OF MEASURING PHYSIOLOGICAL FUNCTION Mallinckrodt Inc. (US) 2001-11-21 — — EP disclosed
WO-2001004623-A1 OPTICAL SENSOR FOR POTASSIUM IONS ANDREAE FRITZ (AT) 2001-01-18 — — WO disclosed
WO-2000050093-A1 METHOD OF MEASURING PHYSIOLOGICAL FUNCTION MALLINCKRODT INC. (US) 2000-08-31 — — WO disclosed
EP-0900272-A2 TUMOR NECROSIS FACTOR ALPHA CONVERTASE GLAXO GROUP LIMITED (GB) 1999-03-10 — — EP disclosed
WO-1997035538-A2 TUMOR NECROSIS FACTOR ALPHA CONVERTASE GLAXO GROUP LIMITED (GB) 1997-10-02 — — WO disclosed
US-4438030-A Antibodies to immunogenic peptides and their use to purify human fibroblast interferon E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-20 — — US disclosed
US-4341761-A Antibodies to immunogenic peptides and their use to purify human fibroblast interferon E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-27 — — US disclosed
US-4311639-A Immunogenic interferon peptides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-19 — — 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 (1 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-20080167243-A1 immunizing a subject with a sufficient amount of a translated polypeptide to produce antibody; containing a phenylalanine or tyrosine derivative analoges DNPEP, NPEPPS, TYR CPA1 734/4885CYP1A2 4625/4885ALPI 3704/4885

“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.

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