Sugi Predict

Sugi Predict / Compounds / SCHEMBL357288

SCHEMBL357288

SCHEMBL357288

COc1cc([N+](=O)[O-])ccc1CO

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ TTR P02766 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GLA P06280 1/20 0.47

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
SCHEMBL7517829 0.87 HTT (0.57) HTTTDP1PKMTTRALDH1A1
SCHEMBL215804 0.87 TDP1 (0.58) HTTTDP1PKMTTRALDH1A1
SCHEMBL30780913 0.87 TDP1 (0.58) HTTTDP1PKMTTRALDH1A1
SCHEMBL4162538 0.86 HTT (0.64) HTTTDP1PKMALDH1A1SMN1; SMN2
SCHEMBL13981885 0.85 PDCD1 (0.45) HTTTDP1PKMTTRALDH1A1
SCHEMBL12190689 0.84 MAPT (0.49) HTTTDP1TTRALDH1A1KMT2A
SCHEMBL1615885 0.83 HTT (0.60) HTTTDP1PKMALDH1A1SMN1; SMN2
SCHEMBL5174174 0.83 HTT (0.65) HTTTDP1PKMALDH1A1SMN1; SMN2
SCHEMBL5905884 0.83 HTT (0.60) HTTTDP1PKMALDH1A1SMN1; SMN2
SCHEMBL4518437 0.83 HTT (0.60) HTTTDP1PKMALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486115-B1 ELECTRORHEOLOGIC FLUID COMPRISING ORGANIC SUBSTANCES THAT CAN BE DOPED AND USE THEREOF FRAUNHOFER GES FORSCHUNG (DE) 2015-05-20 — — EP claimed
EP-2486115-A1 ELECTRORHEOLOGICAL FLUID COMPRISING ORGANIC DOPANTS, AND USE THEREOF Fraunhofer Gesellschaft zur Förderung der angewandten Wissenschaft E.V. (DE) 2012-08-15 — — EP claimed
WO-2011042117-A1 ELECTRORHEOLOGICAL FLUID COMPRISING ORGANIC DOPANTS, AND USE THEREOF Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2011-04-14 — — WO claimed
WO-2018229261-A1 COMBINATION MEDICAMENT COMPRISING A PRODRUG AND INHALABLE CATALYST ETH Zürich (CH) 2018-12-20 — — WO disclosed
EP-3415523-A1 COMBINATION MEDICAMENT COMPRISING A PRODRUG AND INHALABLE CATALYST ETH Zurich (CH) 2018-12-19 — — EP disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 — — US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 — — US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 — — EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 — — EP disclosed
US-9499482-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 — — US disclosed
US-9499482-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 — — US disclosed
EP-1463714-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2004-10-06 — — EP disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 — — US disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 — — WO disclosed
WO-2003091255-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2003-11-06 — — WO disclosed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 — — US disclosed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 — — WO disclosed
EP-1173414-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-23 — — EP disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 — — WO disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 — — WO 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-20030195201-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 HTT 2042/4885TDP1 1989/4885PKM 3375/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 HTT 3990/4885TDP1 178/4885PKM 570/4885
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 HTT 2042/4885TDP1 1989/4885PKM 3375/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 HTT 3990/4885TDP1 178/4885PKM 570/4885

“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.