SCHEMBL7925815

SCHEMBL7925815

O=C(NC(CO[C@H]1CCCCO1)C(=O)OCc1ccccc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
IDO1 P14902 1/20 0.42
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
SLC17A5 Q9NRA2 1/20 0.41
TLR2 O60603 2/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL21838223 0.90 MDM4 (0.48) TNFMDM4TP53SLC17A5TLR2
SCHEMBL21838225 0.90 MDM4 (0.48) TNFMDM4TP53SLC17A5TLR2
SCHEMBL12118786 0.90 MDM4 (0.48) TNFMDM4TP53SLC17A5TLR2
SCHEMBL30889963 0.90 MDM4 (0.48) TNFMDM4TP53SLC17A5TLR2
SCHEMBL29477061 0.90 MDM4 (0.48) TNFMDM4TP53SLC17A5TLR2
SCHEMBL16616142 0.87 MDM4 (0.49) TNFMDM4TP53SLC17A5TLR2
SCHEMBL8145837 0.84 TNF (0.44) TNFHDAC1HDAC2IDO1MDM4
SCHEMBL28404544 0.83 CASP3 (0.43) TLR2KMT2A
SCHEMBL28404541 0.83 CASP3 (0.43) TLR2KMT2A
SCHEMBL25657764 0.83 TLR2 (0.49) TNFMDM4TP53SLC17A5TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956296-B2 Compounds containing a vascular disrupting agent INCANTHERA LTD (GB) 2018-05-01 US disclosed
US-9937267-B2 Methods of treating cancer using compounds containing a vascular disrupting agent INCANTHERA LTD (GB) 2018-04-10 US disclosed
US-20170266307-A1 Methods Of Treating Cancer Using Compounds Containing A Vascular Disrupting Agent ELLIPSES PHARMA LIMITED (GB) 2017-09-21 US disclosed
US-20160243252-A1 COMPOUNDS CONTAINING A VASCULAR DISRUPTING AGENT ELLIPSES PHARMA LIMITED (GB) 2016-08-25 US disclosed
US-20160243252-A1 COMPOUNDS CONTAINING A VASCULAR DISRUPTING AGENT ELLIPSES PHARMA LIMITED (GB) 2016-08-25 US disclosed
US-9358303-B2 Compounds containing a vascular disrupting agent INCANTHERA LTD (GB) 2016-06-07 US disclosed
US-9358303-B2 Compounds containing a vascular disrupting agent INCANTHERA LTD (GB) 2016-06-07 US disclosed
US-20150196658-A1 Compounds Incanthera Ltd. 2015-07-16 US disclosed
US-20150196658-A1 Compounds Incanthera Ltd. 2015-07-16 US disclosed
US-8927486-B2 Compounds INCANTHERA LIMITED (GB) 2015-01-06 US disclosed
US-8927486-B2 Compounds INCANTHERA LIMITED (GB) 2015-01-06 US disclosed
US-20140179592-A1 Compounds INCANTHERA LIMITED (GB) 2014-06-26 US disclosed
US-20140179592-A1 Compounds INCANTHERA LIMITED (GB) 2014-06-26 US disclosed
US-20110275554-A1 COMPOUNDS THE UNIVERSITY OF BRADFORD (GB) 2011-11-10 US disclosed
US-20100168036-A1 GROWTH FACTOR UNIVERSITY OF BRADFORD (GB) 2010-07-01 US disclosed
WO-2010046628-A1 COMPOUNDS UNIVERSITY OF BRADFORD (GB) 2010-04-29 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 (6 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-20150196658-A1 Compounds ADAM17, MMP3, MMP25 TNF 3565/4885HDAC1 780/4885HDAC2 1311/4885
US-20170266307-A1 Methods Of Treating Cancer Using Compounds Containing A Vascular Disrupting Agent MMP10, MMP25, MMP26 TNF 3363/4885HDAC1 468/4885HDAC2 812/4885
US-20160243252-A1 COMPOUNDS CONTAINING A VASCULAR DISRUPTING AGENT MMP10, MMP11, MMP3 TNF 3314/4885HDAC1 658/4885HDAC2 1514/4885
US-20110275554-A1 COMPOUNDS ADAM17, MMP3, MMP25 TNF 3565/4885HDAC1 780/4885HDAC2 1311/4885
US-20100168036-A1 GROWTH FACTOR HDGF, VEGFA, PGF TNF 226/4885HDAC1 1368/4885HDAC2 2700/4885
US-20140179592-A1 Compounds MMP9, MMP3, MMP10 TNF 2683/4885HDAC1 498/4885HDAC2 820/4885

“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.