SCHEMBL2674668

SCHEMBL2674668

COc1cc(CC(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
SCHEMBL2674665 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 — — US claimed
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
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 — — WO disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 — — US 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
US-6699855-B2 PYRROLOPYRAZINONES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2004-03-02 — — US 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
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-11-28 — — US disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 — — US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 — — US disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 — — US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 — — EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 — — WO disclosed
US-4761398-A ADMINISTERING A LUTEINIZING HORMONE RELEASING HORMONE RECEPTOR LIGAND EMBREX, INC. (US) 1988-08-02 — — US 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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 SLC7A5 860/4885MEN1 3394/4885KMT2A 3703/4885
US-20070128204-A1 Methods and compositions for inducing apoptosis in cancer cells BAD, BAX, BID SLC7A5 4845/4885MEN1 4481/4885KMT2A 4653/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 SLC7A5 3026/4885MEN1 2870/4885KMT2A 4391/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 SLC7A5 2566/4885MEN1 4642/4885KMT2A 324/4885

“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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