SCHEMBL3173765

SCHEMBL3173765

O=C(O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
EPHX2 P34913 1/20 0.39
OPRD1 P41143 1/20 0.39
CASP3 P42574 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL341372 0.99 KMT2A (0.43) KMT2AFABP5FABP7EPHX2OPRD1
SCHEMBL11902048 0.95 KMT2A (0.45) KMT2AFABP5FABP7EPHX2OPRD1
SCHEMBL6651104 0.89 KMT2A (0.41) KMT2AFABP5FABP7EPHX2OPRD1
SCHEMBL2039581 0.89 KMT2A (0.42) KMT2AFABP5FABP7EPHX2OPRD1
SCHEMBL6796558 0.86 KMT2A (0.43) KMT2AFABP5FABP7EPHX2OPRD1
SCHEMBL377928 0.82 KMT2A (0.44) KMT2AFABP5FABP7EPHX2OPRD1
SCHEMBL25797253 0.82 KMT2A (0.41) KMT2AFABP5FABP7EPHX2OPRD1
SCHEMBL8933069 0.82 FABP5 (0.42) KMT2AFABP5FABP7EPHX2OPRD1
SCHEMBL11964044 0.82 KMT2A (0.48) KMT2AFABP5FABP7EPHX2OPRD1
SCHEMBL3580338 0.81 GPR119 (0.44) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186860-A1 SYNTHETIC APOLIPOPROTEINS, AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR NANOLIPOPROTEIN PARTICLES FORMATION U.S. DEPARTMENT OF ENERGY 2018-07-05 US disclosed
WO-2017044899-A1 SYNTHETIC APOLIPOPROTEINS, AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR NANOLIPOPROTEIN PARTICLES FORMATION LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2017-03-16 WO disclosed
US-8877927-B2 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl proteinase inhibitors GRUNENTHAL GMBH (DE) 2014-11-04 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 WO disclosed
EP-2046797-B1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-05-23 EP disclosed
US-20100010009-A1 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl porteinase inhibitors GRUNENTHAL GMBH (DE) 2010-01-14 US disclosed
EP-2046797-A1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS Amura Therapeutics Limited (GB) 2009-04-15 EP 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
US-7119073-B2 Peptides and their use as inhibitors of hepatitis C virus ns3 protease ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-10-10 US disclosed
US-20040142876-A1 Peptides and their use as inhibitors of hepatitis c virus ns3 protease ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-07-22 US disclosed
EP-1392721-A1 PEPTIDES AND THEIR USE AS INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-03-03 EP disclosed
WO-2002079234-A1 PEPTIDES AND THEIR USE AS INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2002-10-10 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 (3 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-20040142876-A1 Peptides and their use as inhibitors of hepatitis c virus ns3 protease CTRL, VIP, CTSC KMT2A 4234/4885FABP5 2372/4885FABP7 2788/4885
US-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 KMT2A 4326/4885FABP5 823/4885FABP7 1750/4885
US-20100010009-A1 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl porteinase inhibitors ABCB1, COLGALT1, SLC40A1 KMT2A 3009/4885FABP5 2851/4885FABP7 3638/4885

“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.