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Sugi Predict / Compounds / SCHEMBL25863

SCHEMBL25863

SCHEMBL25863

CC(C)(C)C(=O)OCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.53
▸ BCL9 O00512 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ MGLL Q99685 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ ELANE P08246 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PTPN7 P35236 1/20 0.40
▸ PTPN12 Q05209 1/20 0.40
▸ PTPN22 Q9Y2R2 1/20 0.40

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
SCHEMBL30967402 0.99 HTR2A (0.52) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL7759652 0.89 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL6388615 0.86 HTR2A (0.48) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL3468592 0.84 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL30967403 0.83 HTR2A (0.55) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL5762656 0.83 BCL9 (0.60) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL29189078 0.82 BCL9 (0.59) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL4941164 0.82 ELANE (0.61) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL5764186 0.82 HTR2A (0.61) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL15604041 0.81 BCL9 (0.54) HTR2ABCL9CTNNB1GAAMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860999-B9 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS INC (US) 2024-08-14 — — EP disclosed
EP-3860999-B1 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS INC (US) 2024-06-05 — — EP disclosed
US-11180500-B2 Derivatives of relebactam and uses thereof ARIXA PHARMACEUTICALS, INC. (US) 2021-11-23 — — US disclosed
EP-3860999-A1 DERIVATIVES OF RELEBACTAM AND USES THEREOF Arixa Pharmaceuticals, Inc. (US) 2021-08-11 — — EP disclosed
WO-2020072442-A1 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2020-04-09 — — WO disclosed
US-20200102307-A1 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2020-04-02 — — US disclosed
US-9586985-B2 Organic compounds as proantigens for natural killer T cells VICTORIA LINK LIMITED (NZ) 2017-03-07 — — US disclosed
US-9586985-B2 Organic compounds as proantigens for natural killer T cells VICTORIA LINK LIMITED (NZ) 2017-03-07 — — US disclosed
US-9586985-B2 Organic compounds as proantigens for natural killer T cells VICTORIA LINK LIMITED (NZ) 2017-03-07 — — US disclosed
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2016-03-31 — — US disclosed
US-5965692-A ANTICOAGULANTS FOR TREATMENT OF THROMOBOSIS AND HYPERCOAGULABILITY IN BLOOD AND TISSUES ASTRA AB (SE) 1999-10-12 — — US disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 — — WO disclosed
EP-0869966-A1 PRODRUGS OF THROMBIN INHIBITORS Astra Aktiebolag (SE) 1998-10-14 — — EP disclosed
US-5789595-A ANTICOAGULANTS TERUMO KABUSHIKI KAISHA (JP) 1998-08-04 — — US disclosed
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 — — US disclosed
EP-0790247-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND MEDICINAL PREPARATION CONTAINING THE SAME TERUMO KABUSHIKI KAISHA (JP) 1997-08-20 — — EP disclosed
WO-1997023499-A1 PRODRUGS OF THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1997-07-03 — — WO disclosed
EP-0167451-B1 A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS MERCK & CO. INC. (US) 1990-10-03 — — EP disclosed
US-4916230-A Process for preparing novel N-(acyloxy-alkoxy)carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO., INC. (US) 1990-04-10 — — US disclosed
EP-0167451-A2 A new process for preparing novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO. INC. (US) 1986-01-08 — — EP 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-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 HTR2A 1085/4885BCL9 2365/4885CTNNB1 4448/4885
US-20200102307-A1 DERIVATIVES OF RELEBACTAM AND USES THEREOF NRDC, MRPL19, MRPL12 HTR2A 4282/4885BCL9 275/4885CTNNB1 394/4885
US-11180500-B2 Derivatives of relebactam and uses thereof NRDC, MRPL19, MRPL12 HTR2A 4282/4885BCL9 275/4885CTNNB1 394/4885

“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.