SCHEMBL2674665

SCHEMBL2674665

COc1cc(C[C@@H](N)C(=O)O)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 5/20 0.52
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ ADORA3 P0DMS8 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ PTGS2 P35354 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TTR P02766 2/20 0.50
▸ THRB P10828 2/20 0.50
▸ PDE4D Q08499 2/20 0.50
▸ HTR2B P41595 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ NR3C1 P04150 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TBXA2R P21731 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL2931777 1.00 SLC7A5 (0.52) SLC7A5MEN1KMT2AADORA3HSD17B10
SCHEMBL2674679 1.00 SLC7A5 (0.52) SLC7A5MEN1KMT2AADORA3HSD17B10
SCHEMBL2674668 1.00 SLC7A5 (0.52) SLC7A5MEN1KMT2AADORA3HSD17B10
SCHEMBL28087654 0.90 SLC7A5 (0.47) SLC7A5MEN1KMT2AADORA3HSD17B10
SCHEMBL15085708 0.90 SLC7A5 (0.47) SLC7A5MEN1KMT2AADORA3HSD17B10
SCHEMBL5379357 0.88 SLC7A5 (0.46) SLC7A5MEN1KMT2AADORA3HSD17B10
SCHEMBL9162835 0.85 ALDH1A1 (0.54) MEN1KMT2APTGS2HTR2BALDH1A1
SCHEMBL9162838 0.85 ALDH1A1 (0.54) MEN1KMT2APTGS2HTR2BALDH1A1
SCHEMBL491220 0.84 LDHA (0.67) MEN1KMT2AHSD17B10PTGS2HTR2B
SCHEMBL5302134 0.84 SLC7A5 (0.55) SLC7A5MEN1KMT2AADORA3HSD17B10

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 18 patents. 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
EP-1576179-A2 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS IRM LLC (BM) 2005-09-21 — — EP disclosed
US-6933290-B2 2-{N-(2-amino-3-(heteroaryl or aryl)propionyl)-aminoacyl}-amino}-alkylboronic acid derivatives NOVARTIS AG (CH) 2005-08-23 — — US disclosed
US-20050079172-A1 Methods and compositions for inducing apoptosis in cancer cells IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-04-14 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 SLC7A5 46/4885MEN1 1127/4885KMT2A 1572/4885
US-20050239716-A1 2-{[N-(2-amino-3-(heteroaryl or aryl) propionyl)-aminoacyl]-amino}-alkylboronic acid derivatives AADAT, PIGS, SLC1A5 SLC7A5 24/4885MEN1 1993/4885KMT2A 2555/4885
US-20050079172-A1 Methods and compositions for inducing apoptosis in cancer cells BAD, BAX, CASP3 SLC7A5 4840/4885MEN1 4510/4885KMT2A 4692/4885
US-20070128204-A1 Methods and compositions for inducing apoptosis in cancer cells BAD, BAX, BID SLC7A5 4845/4885MEN1 4481/4885KMT2A 4653/4885

“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.

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