SCHEMBL17801583

SCHEMBL17801583

O=C(O)N1CC[C@@H](F)[C@H](O)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.32
DPP4 P27487 8/20 0.32
DPP7 Q9UHL4 4/20 0.32
RORC P51449 1/20 0.30
SLC18A3 Q16572 2/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4434918 1.00 SCN9A (0.32) SCN9ADPP4DPP7RORCSLC18A3
SCHEMBL20973259 1.00 SCN9A (0.32) SCN9ADPP4DPP7RORCSLC18A3
SCHEMBL22467822 1.00 SCN9A (0.32) SCN9ADPP4DPP7RORCSLC18A3
SCHEMBL17801581 1.00 SCN9A (0.32) SCN9ADPP4DPP7RORCSLC18A3
SCHEMBL1964520 0.85 L3MBTL3 (0.31) L3MBTL3L3MBTL1ALDH1A1
SCHEMBL2223995 0.83 DPP4 (0.33) SCN9ADPP4DPP7SLC18A3DPP8
SCHEMBL288363 0.83 DPP4 (0.33) SCN9ADPP4DPP7SLC18A3DPP8
SCHEMBL2221226 0.83 DPP4 (0.33) SCN9ADPP4DPP7SLC18A3DPP8
SCHEMBL1444883 0.83 DPP4 (0.33) SCN9ADPP4DPP7SLC18A3DPP8
SCHEMBL2221215 0.83 DPP4 (0.33) SCN9ADPP4DPP7SLC18A3DPP8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111527091-B Oxy-fluoropiperidine derivatives as kinase inhibitors 株式会社大熊制药 2023-03-28 CN disclosed
CN-111527091-A Oxy-fluoropiperidine derivatives as kinase inhibitors 株式会社大熊制药 2020-08-11 CN disclosed
EP-3227279-B1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS LILLY CO ELI (US) 2019-02-13 EP disclosed
EP-3227279-A1 1 -OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS Eli Lilly and Company (US) 2017-10-11 EP disclosed
US-9776992-B2 1-oxo-1,2-dihydroisoquinolin-7-yl-(5-substituted-thiophen-2-yl)-sulfonamide compounds, formulations containing those compounds, and their use as AICARFT inhibitors in the treatment of cancers ELI LILLY AND COMPANY (US) 2017-10-03 US disclosed
US-20170233378-A1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS ELI LILLY AND COMPANY (US) 2017-08-17 US disclosed
WO-2016089670-A1 1 -OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS ELI LILLY AND COMPANY (US) 2016-06-09 WO disclosed
CN-102089307-A Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2011-06-08 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 (1 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-20170233378-A1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS CDKN1A, API5, NUTF2 SCN9A 4226/4885DPP4 1338/4885DPP7 576/4885

“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.