SCHEMBL2800996

SCHEMBL2800996

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
SLC15A1 P46059 2/20 0.49
CPA1 P15085 6/20 0.47
LTA4H P09960 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
HDAC8 Q9BY41 2/20 0.44
MMP2 P08253 1/20 0.44
SRR Q9GZT4 1/20 0.44

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
SCHEMBL29034485 1.00 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1067685 0.86 SLC7A5 (0.56) SLC7A5HDAC8MMP2
SCHEMBL27692711 0.81 CPA1 (0.45) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Methyl Ester SCHEMBL27558673 0.81 ALDH1A1 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2785098 0.81 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL19618992 0.81 CPA1 (0.47) CPA1
SCHEMBL27623586 0.81 CPA1 (0.47) ALPIPKMPTGS1XIAPSLC7A5
Nitric Acid SCHEMBL27682850 0.80 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3310196 0.80 PTGS2 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3310195 0.80 PTGS2 (0.49) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630588-B2 Bicyclic peptide ligands specific for CD137 BICYCLETX LIMITED (GB) 2026-05-19 US claimed
US-20250059236-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR CD137 BICYCLETX LIMITED (GB) 2025-02-20 US claimed
CN-119410678-A Method for optimizing antibody expression AMBRX公司 2025-02-11 CN claimed
CN-119410679-A Method for optimizing antibody expression AMBRX公司 2025-02-11 CN claimed
CN-112313336-B Method for optimizing antibody expression AMBRX公司 2024-12-03 CN claimed
CN-117924503-A Humanized anti-Prostate Specific Membrane Antigen (PSMA) antibody drug conjugates AMBRX公司 2024-04-26 CN claimed
CN-110959041-B Methods and compositions for promoting production of proteins containing unnatural amino acids AMBRX公司 2023-09-29 CN claimed
CN-116457023-A antibody-TLR agonist conjugates, methods and uses thereof AMBRX公司 2023-07-18 CN claimed
US-12630588-B2 Bicyclic peptide ligands specific for CD137 BICYCLETX LIMITED (GB) 2026-05-19 US disclosed
US-20250059236-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR CD137 BICYCLETX LIMITED (GB) 2025-02-20 US disclosed
CN-119410679-A Method for optimizing antibody expression AMBRX公司 2025-02-11 CN disclosed
CN-119410678-A Method for optimizing antibody expression AMBRX公司 2025-02-11 CN disclosed
US-12049520-B2 Bicyclic peptide ligands specific for CD137 BICYCLETX LIMITED (GB) 2024-07-30 US disclosed
CN-117924503-A Humanized anti-Prostate Specific Membrane Antigen (PSMA) antibody drug conjugates AMBRX公司 2024-04-26 CN disclosed
WO-2002048312-A2 BACKBONE CYCLIZED INHIBITORS OF HEAT SHOCK PROTEINS PEPTOR LTD. (IL) 2002-06-20 WO disclosed
WO-2001054690-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING ANTI-BETA 1 INTEGRIN COMPOUNDS AND USES BIOGEN, INC. (US) 2001-08-02 WO disclosed
CN-1201794-A Process for the preparation of (1S,4R) -or (1R,4S) -4- (2-amino-6-chloro-9H-purin-9-yl) -2-cyclopentene-1-methanol or salts thereof LONZA AG (CH) 1998-12-16 CN disclosed
CN-1029684-C Process for preparing dynophine derivative EISAI CO LTD (JP) 1995-09-06 CN disclosed
CN-1039596-A Preparation method in conjunction with the peptide of retroviral Protease SMITHKLINE BECKMAN CORP (US) 1990-02-14 CN disclosed
CN-85109722-A Process for producing Dinorfene (DYNOPHINE) derivatives 1986-10-08 CN 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 (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-12630588-B2 Bicyclic peptide ligands specific for CD137 PTMS, IL36G, HLA-A ALPI 2514/4885PKM 4581/4885PTGS1 4223/4885
US-20250059236-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR CD137 CD2BP2, CD40, SDC1 ALPI 4096/4885PKM 4670/4885PTGS1 4353/4885
US-12049520-B2 Bicyclic peptide ligands specific for CD137 CD2BP2, CD40, SDC1 ALPI 4096/4885PKM 4670/4885PTGS1 4353/4885

“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.