SCHEMBL973725

SCHEMBL973725

C=C(C(=O)C(=C)C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33

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
SCHEMBL6325388 0.78
SCHEMBL9455389 0.76
SCHEMBL203037 0.76
SCHEMBL2776908 0.76
SCHEMBL1930049 0.76
SCHEMBL864818 0.76
Ammonia Solution, Strong SCHEMBL25206010 0.73 TET2 (0.34) CA2
SCHEMBL13044838 0.73
SCHEMBL1635663 0.73
Potassium Ion SCHEMBL10723738 0.73 CA4 (0.33) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506185-B Oxolane is [3,2-B] pyrroles-3-ketone intermediate also 格兰泰有限公司 2016-06-29 CN claimed
CN-101506185-A Tetrahydrofuro [3, 2-B] pyrrol-3-one intermediates ARMURA THERAPEUTICS LTD (GB) 2009-08-12 CN claimed
EP-2081919-A1 TETRAHYDROFURO [3, 2-B]PYRR0L-3-0NE INTERMEDIATES Amura Therapeutics Limited (GB) 2009-07-29 EP claimed
US-20090005575-A1 Preparation of diazapentalene derivatives via epoxydation of dihydropyrroles AMURA THERAPEUTICS LTD. (GB) 2009-01-01 US claimed
CN-101273044-A Preparation of diaza-pentalene derivatives by epoxidation of dihydropyrroles AMURA THERAPEUTICS LTD (GB) 2008-09-24 CN claimed
EP-1917266-A1 PREPARATION OF DIAZAPENTALENE DERIVATIVES VIA EPOXYDATION OF DIHYDROPYRROLES Amura Therapeutics Limited (GB) 2008-05-07 EP claimed
WO-2008007132-A1 TETRAHYDROFURO [3, 2-B] PYRR0L-3-0NE INTERMEDIATES AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO claimed
WO-2007017698-A1 PREPARATION OF DIAZAPENTALENE DERIVATIVES VIA EPOXYDATION OF DIHYDROPYRROLES AMURA THERAPEUTICS LIMITED (GB) 2007-02-15 WO claimed
JP-9067294-A None JP disclosed
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-12-15 US disclosed
CN-101506185-B Oxolane is [3,2-B] pyrroles-3-ketone intermediate also 格兰泰有限公司 2016-06-29 CN disclosed
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-01-21 US disclosed
US-20150209349-A1 Piperazine Compounds AMURA THERAPEUTICS LTD (GB) 2015-07-30 US disclosed
EP-2240491-B1 TETRAHYDROFURO(2,3-b)PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LTD (GB) 2015-07-15 EP disclosed
WO-2008007132-A1 TETRAHYDROFURO [3, 2-B] PYRR0L-3-0NE INTERMEDIATES AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007127-A1 FURO [3,2-B] PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007114-A1 TETRAHYDROFURO [3, 2 -B] PYRR0L-3-ONES AS CATHEPSIN K INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007109-A1 FURO[3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2007017698-A1 PREPARATION OF DIAZAPENTALENE DERIVATIVES VIA EPOXYDATION OF DIHYDROPYRROLES AMURA THERAPEUTICS LIMITED (GB) 2007-02-15 WO disclosed
JP-H0967294-A PRODUCTION OF 5-TRIFLUOROMETHYL-2-CYCLOPENTENONE NIPPON KASEI CHEM CO LTD 1997-03-11 JP 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-20150209349-A1 Piperazine Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM1, CHRM5 CA2 1783/4885
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK CA2 288/4885
US-20090005575-A1 Preparation of diazapentalene derivatives via epoxydation of dihydropyrroles PTGDR2, PTGER2, PTGDR CA2 1385/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK CA2 210/4885

“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.