SCHEMBL2675348

SCHEMBL2675348

COc1ccc(C[C@H](N)C(=O)O)c(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
AOC3 Q16853 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KMT2A Q03164 5/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 4/20 0.43
CYP2C19 P33261 1/20 0.43
LDHA P00338 1/20 0.43
MAPT P10636 3/20 0.42
USP2 O75604 2/20 0.42
HIF1A Q16665 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42

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
SCHEMBL2675352 1.00 KDM4E (0.48) KDM4EAOC3ALDH1A1TDP1L3MBTL1
SCHEMBL31070923 0.87 TNF (0.43) KDM4EALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL15085696 0.87 TNF (0.43) KDM4EALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL30013379 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HIF1APKM
SCHEMBL7375715 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HIF1APKM
SCHEMBL29785614 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HIF1APKM
SCHEMBL7885274 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HIF1APKM
SCHEMBL491064 0.85 LDHA (0.54) KDM4EAOC3ALDH1A1TDP1L3MBTL1
SCHEMBL28150234 0.83 KDM4E (0.49) KDM4EAOC3ALDH1A1TDP1L3MBTL1
SCHEMBL7408009 0.82 HDAC4 (0.52) KDM4EALDH1A1SMN1; SMN2TAAR1KMT2A

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
US-8173128-B2 Methods and compositions for inducing apoptosis in cancer cells with an anti-DR5 antibody IRM LLC (BM) 2012-05-08 US disclosed
CN-1750843-B Methods and compositions for inducing apoptosis in cancer cells IRM LLC 2011-09-28 CN disclosed
EP-1576179-B1 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS IRM LLC (BM) 2010-09-15 EP disclosed
CN-100415770-C 2-{[N-(2-amino-3-(heteroaryl or aryl) propionyl)-aminoacyl]-amino}- alkylboronic acid derivatives NOVARTIS AG (CH) 2008-09-03 CN disclosed
US-7229617-B2 Methods and compositions for inducing apoptosis in cancer cells IRM LLC (BM) 2007-06-12 US disclosed
US-20070128204-A1 Methods and compositions for inducing apoptosis in cancer cells IRM LLC (BM) 2007-06-07 US disclosed
EP-1576179-A4 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS IRM LLC (BM) 2007-06-06 EP disclosed
CN-1750843-A Methods and compositions for inducing apoptosis in cancer cells IRM LLC (BM) 2006-03-22 CN disclosed
EP-1399468-B1 2-((N-(2-AMINO-3-(HETEROARYL OR ARYL)PROPIONYL)-AMINOACYL)-AMINO)-ALKYLBORONIC ACID DERIVATIVES NOVARTIS AG (CH) 2006-02-15 EP disclosed
US-20050239716-A1 2-{[N-(2-amino-3-(heteroaryl or aryl) propionyl)-aminoacyl]-amino}-alkylboronic acid derivatives FURET PASCAL 2005-10-27 US disclosed
US-20040167337-A1 2-{[n-(2-amino-3-(heteroaryl or aryl)propionyl)-aminoacyl}-amino}-alkylboronic acid derivatives NOVARTIS AG (CH) 2004-08-26 US disclosed
CN-1512999-A 2-{[N-(2-amino-3-(heteroaryl or aryl) propionyl)-aminoacyl]-amino}- alkylboronic acid derivatives ��˹��ŵ�� 2004-07-14 CN disclosed
WO-2004050895-A2 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS IRM LLC (BM) 2004-06-17 WO disclosed
EP-1399468-A1 2-((N-(2-AMINO-3-(HETEROARYL OR ARYL)PROPIONYL)-AMINOACYL)-AMINO)-ALKYLBORONIC ACID DERIVATIVES Novartis AG (CH) 2004-03-24 EP disclosed
WO-2002096933-A1 2-{[N-(2-AMINO-3-(HETEROARYL OR ARYL)PROPIONYL)-AMINOACYL]-AMINO}-ALKYLBORONIC ACID DERIVATIVES NOVARTIS AG (CH) 2002-12-05 WO disclosed
EP-0206460-B1 L-PHENYLALANINE DEHYDROGENASE AND USE THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1993-08-11 EP disclosed
EP-0513872-A1 L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-11-19 EP disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP disclosed
US-4849345-A L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-07-18 US disclosed
EP-0206460-A2 L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-30 EP 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-20040167337-A1 2-{[n-(2-amino-3-(heteroaryl or aryl)propionyl)-aminoacyl}-amino}-alkylboronic acid derivatives AADAT, BCAT1, BCAT2 KDM4E 3591/4885AOC3 764/4885ALDH1A1 197/4885
US-20050239716-A1 2-{[N-(2-amino-3-(heteroaryl or aryl) propionyl)-aminoacyl]-amino}-alkylboronic acid derivatives AADAT, PIGS, SLC1A5 KDM4E 3302/4885AOC3 334/4885ALDH1A1 226/4885
US-20070128204-A1 Methods and compositions for inducing apoptosis in cancer cells BAD, BAX, BID KDM4E 4733/4885AOC3 4122/4885ALDH1A1 4161/4885

“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.