SCHEMBL939191

SCHEMBL939191

Cn1ccc(-c2cccc(C(=O)O)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 2/20 0.65
KMT2A Q03164 1/20 0.59
KMO O15229 2/20 0.53
CD74 P04233 1/20 0.50
MIF P14174 1/20 0.50
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
NTRK1 P04629 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
FGFR1 P11362 1/20 0.49
PRKACA P17612 1/20 0.49
KDR P35968 1/20 0.49
MAP2K2 P36507 1/20 0.49
MAPK8 P45983 1/20 0.49
CDK8 P49336 1/20 0.49
GSK3A P49840 1/20 0.49

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
SCHEMBL2629322 0.81 KMT2A (0.60) JMJD6KMT2AKDM4EMKNK1MKNK2
SCHEMBL27297036 0.81 MKNK1 (0.62) JMJD6KMT2ANTRK1NTRK3KDM4E
SCHEMBL182162 0.80 KMO (0.53) KMOCD74MIFKDM4ENPC1
SCHEMBL182136 0.80 KEAP1 (0.51) KMT2AKMOCD74MIFKDM4E
SCHEMBL26197730 0.79 KMT2A (0.74) KMT2AKMOKDM4EMKNK1MKNK2
SCHEMBL29796107 0.78 KMT2A (0.53) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL27695838 0.78 KMO (0.47) JMJD6KMT2AKMOCD74MIF
SCHEMBL181928 0.78 HTT (0.52) KMT2AKMOCD74MIFAURKA
SCHEMBL3324191 0.77 KMT2A (0.60) KMT2AKEAP1
SCHEMBL182019 0.77 MEN1 (0.59) KMT2AKMOAURKADAPK3JAK2

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 23 patents — showing the first 20. 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
EP-2791130-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP 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-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 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-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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-8008290-B2 Compounds AMURA THERAPEUTICS LIMITED (GB) 2011-08-30 US 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
US-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7662823-B2 Pharmaceutical formulations of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-16 US disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
WO-2009112826-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US 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 (11 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-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP JMJD6 1014/4885KMT2A 2166/4885KMO 312/4885
US-20130150345-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK JMJD6 1328/4885KMT2A 4741/4885KMO 546/4885
US-20110009385-A1 COMPOUNDS CTSK, CTSS, MMP9 JMJD6 1923/4885KMT2A 4690/4885KMO 2550/4885
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 JMJD6 1488/4885KMT2A 3221/4885KMO 379/4885
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK JMJD6 1492/4885KMT2A 4719/4885KMO 495/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK JMJD6 1328/4885KMT2A 4741/4885KMO 546/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 JMJD6 1488/4885KMT2A 3221/4885KMO 379/4885
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK JMJD6 1328/4885KMT2A 4741/4885KMO 546/4885
US-20140038944-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK JMJD6 1328/4885KMT2A 4741/4885KMO 546/4885
US-20130158042-A1 NOVEL COMPOUNDS GRM5, GRIK5, GRM1 JMJD6 2313/4885KMT2A 1410/4885KMO 1337/4885
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK JMJD6 1492/4885KMT2A 4719/4885KMO 495/4885

“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.