SCHEMBL2204579

SCHEMBL2204579

O=C(O)CC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
FABP5 Q01469 3/20 0.54
FABP7 O15540 2/20 0.54
EPHX2 P34913 1/20 0.51
CASP3 P42574 2/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MDM4 O15151 1/20 0.43
TP53 P04637 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
SCHEMBL31378081 0.85 KMT2A (0.59) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL2855831 0.85 KMT2A (0.57) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL3888794 0.85 KMT2A (0.54) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL5497609 0.85 KMT2A (0.59) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL5497604 0.84 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL10261416 0.83 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL846010 0.83 KMT2A (0.54) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL1853371 0.83 KMT2A (0.64) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL44677 0.82 FABP5 (0.59) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL29381061 0.82 FABP5 (0.59) KMT2AFABP5FABP7EPHX2CASP3

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
EP-2113513-B1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL (JP) 2016-05-18 EP disclosed
US-9107814-B2 Micelle composition of polymer and passenger drug WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-08-18 US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20120309780-A1 MICELLE COMPOSITION OF POLYMER AND PASSENGER DRUG WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-12-06 US disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US disclosed
US-8173167-B2 Micelle composition of polymer and passenger drug WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-08 US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 EP disclosed
US-20090298765-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-03 US disclosed
US-7625869-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
EP-2113513-A2 Metastin derivatives and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
US-20080312155-A1 Metastin Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 WO disclosed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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 (5 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-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 KMT2A 868/4885FABP5 4600/4885FABP7 4318/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 KMT2A 868/4885FABP5 4600/4885FABP7 4318/4885
US-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 KMT2A 1848/4885FABP5 2485/4885FABP7 1421/4885
US-20090298765-A1 Metastin derivatives and use thereof GNRHR, SHBG, MEN1 KMT2A 1848/4885FABP5 2485/4885FABP7 1421/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KMT2A 868/4885FABP5 4600/4885FABP7 4318/4885

“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.