SCHEMBL93588

SCHEMBL93588

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 6/20 0.54
MME P08473 2/20 0.51
MMP2 P08253 4/20 0.51
MMP9 P14780 3/20 0.51
ADAMTS4 O75173 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.49
CYP1A2 P05177 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL414333 1.00 CPA1 (0.54) CPA1MMEMMP2MMP9ADAMTS4
SCHEMBL28308525 1.00 CPA1 (0.54) CPA1MMEMMP2MMP9ADAMTS4
SCHEMBL93589 1.00 CPA1 (0.54) CPA1MMEMMP2MMP9ADAMTS4
Hydrochloric Acid SCHEMBL1422098 0.98 CPA1 (0.53) CPA1MMEMMP2MMP9ADAMTS4
Water SCHEMBL7180276 0.98 CPA1 (0.53) CPA1MMEMMP2MMP9ADAMTS4
Water SCHEMBL28101244 0.98 CPA1 (0.53) CPA1MMEMMP2MMP9ADAMTS4
Alanine SCHEMBL28256330 0.91 CTSL (0.47) CPA1MMEMMP2MMP9L3MBTL1
SCHEMBL38173 0.87 FOLH1 (0.51) CPA1MMENAALAD2L3MBTL1
SCHEMBL38174 0.87 FOLH1 (0.51) CPA1MMENAALAD2L3MBTL1
Ethyl Acetate SCHEMBL8046018 0.86 CTSL (0.47) CPA1L3MBTL1

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 1341 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
WO-2024076928-A1 FLUOROPHORE-POLYMER CONJUGATES AND USES THEREOF ERISYON INC. (US) 2024-04-11 WO claimed
CN-117015290-A Composite material and preparation method thereof, light-emitting device and preparation method thereof, and display device TCL科技集团股份有限公司 2023-11-07 CN claimed
EP-3578566-B1 BIOCIDAL PEPTIDE AND PREPARATION BASED THEREON VERTA RES PRODUCTION COMPANY LTD (RU) 2023-07-19 EP claimed
EP-3981781-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES Fresenius Kabi iPSUM S.r.l. (IT) 2022-04-13 EP claimed
CN-108779150-B Preparation method of degarelix and intermediate thereof 费森尤斯卡比依普莎姆责任有限公司 2022-03-29 CN claimed
EP-3923991-A1 COMPOSITIONS CONTAINING, METHODS AND USES OF ANTIBODY-TLR AGONIST CONJUGATES Ambrx, Inc. (US) 2021-12-22 EP claimed
EP-3914606-A1 A CYCLIC PEPTIDE The University of Queensland (AU) 2021-12-01 EP claimed
EP-3844188-A1 ANTI-CD3 ANTIBODY FOLATE BIOCONJUGATES AND THEIR USES Ambrx, Inc. (US) 2021-07-07 EP claimed
WO-2000050093-A1 METHOD OF MEASURING PHYSIOLOGICAL FUNCTION MALLINCKRODT INC. (US) 2000-08-31 WO claimed
WO-2000033888-A2 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COULTER PHARMACEUTICAL, INC. (US) 2000-06-15 WO claimed
EP-0655069-B1 AMPHIPHILIC COMPOUNDS DERIVED FROM AMINO ACIDS OR PEPTIDES, THEIR METHODS OF SYNTHESIS AND THEIR APPLICATION AS DRUG DELIVERY SYSTEMS ALLIANCE PHARMA (US) 1999-11-03 EP claimed
WO-1996009813-A9 DIKETOPIPERAZINE-BASED DELIVERY SYSTEMS 1996-09-26 WO claimed
US-5446023-A Having hydrophilic part derived from polyol, hydrophobic part derived from hydrocarbon linked by amino acid or peptide ALLIANCE PHARMACEUTICAL CORPORATION (US) 1995-08-29 US claimed
EP-0655069-A1 AMPHIPHILIC COMPOUNDS DERIVED FROM AMINO ACIDS OR PEPTIDES, THEIR METHODS OF SYNTHESIS AND THEIR APPLICATION AS DRUG DELIVERY SYSTEMS ALLIANCE PHARMACEUTICAL CORP. (US) 1995-05-31 EP claimed
WO-1995000535-A1 OPTICALLY PURE CALPAIN INHIBITOR COMPOUNDS ALKERMES, INCORPORATED (US) 1995-01-05 WO claimed
US-5364851-A Internal coupling/cyclization to form helical structures INTERNATIONAL SYNTHECON, LLC (US) 1994-11-15 US claimed
WO-1994003468-A1 AMPHIPHILIC COMPOUNDS DERIVED FROM AMINO ACIDS OR PEPTIDES, THEIR METHODS OF SYNTHESIS AND THEIR APPLICATION AS DRUG DELIVERY SYSTEMS S.A. A.T.T.A. APPLICATIONS ET TRANSFERTS DE TECHNOLOGIES AVANCEES (FR) 1994-02-17 WO claimed
WO-1993001206-A1 CONFORMATIONALLY RESTRICTED BIOLOGICALLY ACTIVE PEPTIDES, METHODS FOR THEIR PRODUCTION AND USES THEREOF NEW YORK UNIVERSITY (US) 1993-01-21 WO 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 (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-12630588-B2 Bicyclic peptide ligands specific for CD137 PTMS, IL36G, HLA-A CPA1 1964/4885MME 256/4885MMP2 2377/4885
US-20250059236-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR CD137 CD2BP2, CD40, SDC1 CPA1 1811/4885MME 696/4885MMP2 3698/4885

“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.