SCHEMBL2490598

SCHEMBL2490598

C=CCOC(=O)C(CCc1ccc(C(=O)OC)cc1)(Cc1ccc(C(=O)OC)cc1)C(=O)OCC=C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.46
CYP4A11 Q02928 2/20 0.45
CYP4F2 P78329 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL2160851 0.94 CYP4A11 (0.48) PTPRBCYP4A11CYP4F2LOXL2ALDH1A1
SCHEMBL8245053 0.93 PTPRB (0.41) PTPRBCYP4A11CYP4F2LOXL2ALDH1A1
SCHEMBL2294364 0.92 PTPRB (0.40) PTPRBCYP4A11CYP4F2LOXL2HPGD
SCHEMBL2289320 0.92 PTPRB (0.40) PTPRBCYP4A11CYP4F2LOXL2HPGD
SCHEMBL8158261 0.86 CYP4F2 (0.48) PTPRBCYP4A11CYP4F2ALDH1A1TP53
SCHEMBL8240083 0.86 PTPRB (0.37) PTPRBCYP4A11CYP4F2LOXL2HPGD
SCHEMBL2294402 0.83 PTPRB (0.40) PTPRBCYP4A11CYP4F2LOXL2ALDH1A1
SCHEMBL2294163 0.82 CYP4A11 (0.41) PTPRBCYP4A11CYP4F2LOXL2ALDH1A1
SCHEMBL2674860 0.82 PTPRB (0.33) PTPRBCYP4A11CYP4F2LOXL2ALDH1A1
SCHEMBL21570565 0.80 PTPRB (0.55) PTPRBCYP4A11CYP4F2LOXL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
US-8609727-B2 Dicarboxylic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
US-8217063-B2 Lactam-substituted dicarboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-10 US disclosed
US-8217063-B2 Lactam-substituted dicarboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-10 US disclosed
US-8217063-B2 Lactam-substituted dicarboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-10 US disclosed
EP-2142504-B1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma AG (DE) 2011-10-26 EP disclosed
US-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
EP-2142504-A2 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF Bayer Schering Pharma AG (DE) 2010-01-13 EP disclosed
WO-2008119457-A2 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-09 WO disclosed
WO-2008119457-A2 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-09 WO disclosed
EP-1940769-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
WO-2007045433-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045433-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 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 (2 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-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF DDO, DDC, BCAT2 PTPRB 3780/4885CYP4A11 2160/4885CYP4F2 672/4885
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 PTPRB 3855/4885CYP4A11 1566/4885CYP4F2 672/4885

“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.