SCHEMBL328702

SCHEMBL328702

CNC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.67
TOP1 P11387 3/20 0.62
CA2 P00918 5/20 0.59
CA12 O43570 4/20 0.59
CA1 P00915 4/20 0.59
CA7 P43166 4/20 0.59
CA9 Q16790 4/20 0.59
CA14 Q9ULX7 4/20 0.59
XDH P47989 1/20 0.59
TERT O14746 1/20 0.58
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
PTGS2 P35354 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC8 Q9BY41 2/20 0.54
HDAC2 Q92769 1/20 0.54

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
SCHEMBL21783904 0.88 SIRT1 (0.64) HDAC6TOP1CA2CA12CA1
SCHEMBL27828053 0.86 HDAC6 (0.72) HDAC6TOP1CA2CA12CA1
SCHEMBL23067301 0.83 HDAC6 (0.62) HDAC6TOP1CA2CA12CA1
SCHEMBL29557094 0.83 HDAC6 (0.62) HDAC6TOP1CA2CA12CA1
SCHEMBL13495800 0.83 HDAC6 (0.53) HDAC6TOP1CA2POLBHDAC8
SCHEMBL12218136 0.83 HDAC6 (0.50) HDAC6TOP1CA2HDAC8HDAC2
SCHEMBL4362534 0.82 HDAC6 (0.72) HDAC6TOP1CA2CA12CA1
SCHEMBL2662442 0.82 HSP90AA1 (0.53) HDAC6CA2KDM4EMAPTHDAC8
SCHEMBL12100712 0.82 HDAC6 (0.53) HDAC6TOP1CA2MAPTHDAC8
SCHEMBL22323667 0.82 HDAC6 (0.53) HDAC6TOP1CA2MAPTHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438052-A Cephalosporin derivatives HOFFMANN-LA ROCHE INC. (US) 1995-08-01 US claimed
EP-4077507-B1 PROCESS FOR FRAGMENTING A POLYMER SPECIALTY OPERATIONS FRANCE (FR) 2026-04-22 EP disclosed
US-12479968-B2 Process for fragmenting a polymer SPECIALTY OPERATIONS FRANCE (FR) 2025-11-25 US disclosed
US-20230040771-A1 PROCESS FOR FRAGMENTING A POLYMER RHODIA OPERATIONS (FR) 2023-02-09 US disclosed
US-20220396595-A1 A METAL COMPLEX AND USE THEREOF RHODIA OPERATIONS (FR) 2022-12-15 US disclosed
CN-114829473-A Method for breaking polymers 罗地亚经营管理公司 2022-07-29 CN disclosed
CN-114599772-A Metal complexes and their use 罗地亚经营管理公司 2022-06-07 CN disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-9334289-B2 Cephem compound having catechol or pseudo-catechol structure SHIONOGI & CO., LTD. (JP) 2016-05-10 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
US-8258290-B2 Glycomimetic inhibitors of the PA-IL lectin, PA-IIL lectin or both the lectins from pseudomonas GLYCOMIMETICS, INC. (US) 2012-09-04 US disclosed
WO-2012032085-A1 SYNTHESIS OF TRIVALENT FLEXIBLE FRAMEWORKS WITH LIGANDS COMPRISING CATECHOL UNITS FOR FUNCTIONALIZING SURFACES JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2012-03-15 WO disclosed
WO-2012032084-A1 SYNTHESIS OF TRIPODAL CATECHOL DERIVATIVES HAVING AN ADAMANTYL BASIC FRAMEWORK FOR FUNCTIONALIZING SURFACES JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2012-03-15 WO disclosed
EP-2428502-A1 Synthesis of tripodal catechol derivatives with an adamantyl base for functionalising surfaces Justus-Liebig-Universität Gießen (DE) 2012-03-14 EP disclosed
EP-2295442-A2 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-16 EP disclosed
US-20100041626-A1 GLYCOMIMETIC INHIBITORS OF THE PA-IL LECTIN, PA-IIL LECTIN OR BOTH THE LECTINS FROM PSEUDOMONAS GLYCOMIMETICS, INC. (US) 2010-02-18 US disclosed
US-7517980-B2 Glycomimetric inhibitors of the PA-IL lectin, PA-IIL lectin or both the lectins from Pseudomonas GLYCOMIMETICS, INC. (US) 2009-04-14 US disclosed
US-5438052-A Cephalosporin derivatives HOFFMANN-LA ROCHE INC. (US) 1995-08-01 US disclosed
EP-0544166-A2 Cephalosporinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 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 (4 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-20100041626-A1 GLYCOMIMETIC INHIBITORS OF THE PA-IL LECTIN, PA-IIL LECTIN OR BOTH THE LECTINS FROM PSEUDOMONAS MASP2, SERPINB1, SIGLEC7 HDAC6 1698/4885TOP1 4659/4885CA2 2046/4885
US-20220396595-A1 A METAL COMPLEX AND USE THEREOF SOD1, MPO, GPX4 HDAC6 959/4885TOP1 4160/4885CA2 430/4885
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL HDAC6 1417/4885TOP1 421/4885CA2 521/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 HDAC6 1152/4885TOP1 1125/4885CA2 42/4885

“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.