SCHEMBL17801571

SCHEMBL17801571

O=c1[nH]ccc2cc(F)c(NS(=O)(=O)c3ccc(N4CCC(O)C(O)C4)s3)cc12

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATIC P31939 13/20 0.85
ROCK2 O75116 3/20 0.33
GHSR Q92847 3/20 0.33
THRB P10828 1/20 0.31

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
SCHEMBL19205905 0.94 ATIC (0.90) ATICROCK2GHSRTHRB
SCHEMBL17808607 0.94 ATIC (0.90) ATICROCK2GHSRTHRB
SCHEMBL19205917 0.94 ATIC (0.90) ATICROCK2GHSRTHRB
SCHEMBL19205907 0.94 ATIC (0.90) ATICROCK2GHSRTHRB
SCHEMBL17801511 0.93 ATIC (0.86) ATICROCK2GHSRTHRB
SCHEMBL17801554 0.93 ATIC (0.86) ATICROCK2GHSRTHRB
SCHEMBL17801556 0.93 ATIC (0.86) ATICROCK2GHSRTHRB
SCHEMBL17801604 0.93 ATIC (0.86) ATICROCK2GHSRTHRB
SCHEMBL17801607 0.93 ATIC (0.86) ATICROCK2GHSRTHRB
SCHEMBL17801558 0.93 ATIC (0.86) ATICROCK2GHSRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
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

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 ATIC 1371/4885ROCK2 3557/4885GHSR 4170/4885

“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.