SCHEMBL939733

SCHEMBL939733

O=C(O)c1cccc(-c2ccns2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.53
CD74 P04233 1/20 0.50
MIF P14174 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
KEAP1 Q14145 1/20 0.45
DDT P30046 1/20 0.43
MAPK1 P28482 1/20 0.43
MAP2K4 P45985 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPK6 Q16659 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL9134467 0.75 KMO (0.51) KMOCD74MIFHDAC1HDAC6
SCHEMBL71238 0.75 KMO (0.86) KMOCD74MIFRXRARXRB
SCHEMBL30725957 0.75 KMO (0.86) KMOCD74MIFRXRARXRB
SCHEMBL29904709 0.75 KMO (0.86) KMOCD74MIFRXRARXRB
SCHEMBL2988942 0.74 DHODH (0.51) RXRARXRBMAPK1MAP2K4MAPKAPK3
Hydrochloric Acid SCHEMBL21173951 0.73 KMO (0.83) KMOCD74MIFRXRARXRB
Hydrochloric Acid SCHEMBL4350309 0.73 KMO (0.83) KMOCD74MIFRXRARXRB
Fluoride SCHEMBL21332075 0.73 KMO (0.83) KMOCD74MIFRXRARXRB
Water SCHEMBL10348973 0.73 KMO (0.83) KMOCD74MIFRXRARXRB
SCHEMBL29276453 0.73 KMO (0.83) KMOCD74MIFRXRARXRB

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 17 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-2009112839-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 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

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 KMO 546/4885CD74 1040/4885MIF 984/4885
US-20110009385-A1 COMPOUNDS CTSK, CTSS, MMP9 KMO 2550/4885CD74 3187/4885MIF 841/4885
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KMO 495/4885CD74 830/4885MIF 1358/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KMO 546/4885CD74 1040/4885MIF 984/4885
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KMO 546/4885CD74 1040/4885MIF 984/4885
US-20140038944-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KMO 546/4885CD74 1040/4885MIF 984/4885
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KMO 495/4885CD74 830/4885MIF 1358/4885

“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.