SCHEMBL1168093

SCHEMBL1168093

COc1cc(-c2oncc2-c2ccc(OP(=O)(O)O)cc2)cc2c1OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
EDNRB P24530 3/20 0.37
EDNRA P25101 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
AHR P35869 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
CYP3A4 P08684 2/20 0.34
ERN1 O75460 1/20 0.34
NPC1 O15118 2/20 0.34
APP P05067 1/20 0.34
ACHE P22303 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL1168831 0.88 MEN1 (0.40) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1167845 0.86 ACHE (0.39) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1167864 0.86 KMT2A (0.37) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1168237 0.85 MEN1 (0.47) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL12338699 0.84 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1168544 0.83 MEN1 (0.50) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1168072 0.82 KMT2A (0.38) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL619377 0.82 PTGS2 (0.44) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1167504 0.81 MEN1 (0.40) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL12338658 0.81 MEN1 (0.47) KMT2AMEN1CYP2C9CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2014-02-13 US disclosed
US-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2014-02-13 US disclosed
US-8598366-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2013-12-03 US disclosed
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-15 US disclosed
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-15 US disclosed
US-8269017-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2012-09-18 US disclosed
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2011-03-10 US disclosed
US-7884094-B2 antiproliferative agents such as 2-amino-N-(2-methoxy-5-[3- (3,4,5-trimethoxy-phenyl)- isoxazol-4-yl)-phenyl)-3- phenylpropanamide, that inhibit tubulin polymerization and/or target vasculature, usefeul for the treatment of cancer SYNTA PHARMACEUTICALS CORP. (US) 2011-02-08 US disclosed
US-7884094-B2 antiproliferative agents such as 2-amino-N-(2-methoxy-5-[3- (3,4,5-trimethoxy-phenyl)- isoxazol-4-yl)-phenyl)-3- phenylpropanamide, that inhibit tubulin polymerization and/or target vasculature, usefeul for the treatment of cancer SYNTA PHARMACEUTICALS CORP. (US) 2011-02-08 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
EP-2059250-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS Synta Pharmaceuticals Corporation (US) 2009-05-20 EP disclosed
EP-1919882-A2 ISOXAZOLE COMBRETASTATIN DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Synta Pharmaceuticals Corporation (US) 2008-05-14 EP disclosed
WO-2008033449-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS SYNTA PHARMACEUTICALS CORP. (US) 2008-03-20 WO disclosed
US-20060217389-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2006-09-28 US disclosed
WO-2006089177-A2 ISOXAZOLE COMBRETASTIN DERIVATIVES FOR THE TREATMENT OF DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2006-08-24 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-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 KMT2A 2808/4885MEN1 1571/4885ALDH1A1 1872/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK KMT2A 3944/4885MEN1 4135/4885ALDH1A1 414/4885
US-20060217389-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 KMT2A 2808/4885MEN1 1571/4885ALDH1A1 1872/4885
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 KMT2A 2808/4885MEN1 1571/4885ALDH1A1 1872/4885
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 KMT2A 2808/4885MEN1 1571/4885ALDH1A1 1872/4885

“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.