SCHEMBL940361

SCHEMBL940361

O=C1CCCc2cc(C(=O)O)ccc2N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.59
CRBN Q96SW2 5/20 0.54
SMYD3 Q9H7B4 2/20 0.50
HTT P42858 1/20 0.48
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
GSK3B P49841 1/20 0.46
TDP2 O95551 1/20 0.45
KIF11 P52732 1/20 0.44
KDM1A O60341 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL939611 0.90 SMYD3 (0.59) MAPTKDM4EALDH1A1CRBNSMYD3
SCHEMBL29995492 0.90 SMYD3 (0.59) MAPTKDM4EALDH1A1CRBNSMYD3
Succinimide SCHEMBL9294241 0.89 SMYD3 (0.58) MAPTKDM4EALDH1A1CRBNSMYD3
Bicarbonate SCHEMBL11126587 0.83 GSK3B (0.52) MAPTKDM4ECRBNSMYD3AKR1C4
SCHEMBL10760242 0.82 GSK3B (0.54) MAPTKDM4ECRBNSMYD3AKR1C4
SCHEMBL7525379 0.82 CRBN (0.64) MAPTALDH1A1CRBNSMYD3HTT
SCHEMBL29003155 0.82 AKR1C4 (0.51) MAPTKDM4ECRBNSMYD3AKR1C4
SCHEMBL5467106 0.82 MAPT (0.52) MAPTKDM4EALDH1A1CRBNSMYD3
SCHEMBL688890 0.81 TDP2 (0.61) MAPTKDM4ESMYD3HTTTDP2
SCHEMBL10648027 0.81 KMO (0.48) MAPTKDM4EALDH1A1CRBNSMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-12-15 US 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-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2015-06-18 US disclosed
US-8933109-B2 Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors AMURA LIMITED (GB) 2015-01-13 US disclosed
US-20140038944-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2014-02-06 US disclosed
US-8552202-B2 Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors AMURA THERAPEUTICS LIMITED (GB) 2013-10-08 US disclosed
US-20130150345-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2013-06-13 US disclosed
US-8389737-B2 Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors AMURA THERAPEUTICS LIMITED (GB) 2013-03-05 US disclosed
EP-2297162-B1 COMPOUNDS AMURA THERAPEUTICS LTD (GB) 2012-08-15 EP disclosed
EP-2283022-B1 FURO [3, 2-B]PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-07-18 EP disclosed
US-8008290-B2 Compounds AMURA THERAPEUTICS LIMITED (GB) 2011-08-30 US disclosed
EP-2297162-A1 COMPOUNDS Amura Therapeutics Limited (GB) 2011-03-23 EP disclosed
EP-2283022-A1 FURO Ý3, 2-B¨PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS Amura Therapeutics Limited (GB) 2011-02-16 EP disclosed
US-20110009385-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2011-01-13 US disclosed
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2011-01-13 US disclosed
WO-2009144450-A1 TETRAHYDROFURO [3, 2-B] PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2009-12-03 WO disclosed
WO-2009112826-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO disclosed
WO-2009112839-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 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 (7 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-20130150345-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK MAPT 4162/4885KDM4E 4450/4885ALDH1A1 4265/4885
US-20110009385-A1 COMPOUNDS CTSK, CTSS, MMP9 MAPT 3024/4885KDM4E 3972/4885ALDH1A1 2263/4885
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK MAPT 3942/4885KDM4E 4509/4885ALDH1A1 3819/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK MAPT 4162/4885KDM4E 4450/4885ALDH1A1 4265/4885
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK MAPT 4162/4885KDM4E 4450/4885ALDH1A1 4265/4885
US-20140038944-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK MAPT 4162/4885KDM4E 4450/4885ALDH1A1 4265/4885
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK MAPT 3942/4885KDM4E 4509/4885ALDH1A1 3819/4885

“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.