SCHEMBL3253687

SCHEMBL3253687

NCC(C(N)=O)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
HIF1A Q16665 2/20 0.52
HTR3A P46098 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
ALOX15 P16050 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
APEX1 P27695 1/20 0.50
ESR1 P03372 6/20 0.47
ESR2 Q92731 5/20 0.47
EPHX1 P07099 1/20 0.44
ROCK2 O75116 1/20 0.43
CA2 P00918 1/20 0.42
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL15653582 0.85 TAAR1 (0.54) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL9328610 0.84 ESR1 (0.44) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL3466433 0.83 ESR1 (0.47) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL1118667 0.83 TAAR1 (0.52) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL1118743 0.83 TAAR1 (0.52) TAAR1HIF1AHTR3ATSHRNFKB1
Hydrochloric Acid SCHEMBL326728 0.82 TDP1 (0.46) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL4943215 0.82 LMNA (0.54) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL22304942 0.82 ESR1 (0.65) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL10255978 0.82 GABBR2 (0.53) TSHRNFKB1EPHX1ROCK2LMNA
SCHEMBL2738972 0.82 HTR2A (0.47) EPHX1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180991-B1 GAMBOGIC ACID DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2010-05-19 EP claimed
EP-1180991-A4 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2005-10-12 EP claimed
US-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2003-04-24 US claimed
US-6462041-B1 ACTIVATORS OF CASPASE CASCADE; TREATING, PREVENTING OR AMELIORATING NEOPLASIA AND CANCER CYTOVIA, INC. 2002-10-08 US claimed
EP-1180991-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2002-02-27 EP claimed
WO-2000044216-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2000-08-03 WO claimed
WO-2000044216-A1 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2000-08-03 WO claimed
EP-1180991-B1 GAMBOGIC ACID DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2010-05-19 EP disclosed
US-20090259054-A1 Methods and Compositions for the Treatment of Angiogenesis and Macular Degeneration THE TEXAS A&M UNIVERSITY SYSTEM 2009-10-15 US disclosed
WO-2008148008-A1 HIGH THROUGHPUT BIOASSAY FOR IDENTIFYING SELECTIVE TRKA RECEPTOR AGONISTS, AND GAMBOGIC AMIDE, A SELECTIVE TRKA AGONIST WITH NEUROPROTECTIVE ACTIVITY EMORY UNIVERSITY (US) 2008-12-04 WO disclosed
EP-1620564-A4 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA INC (US) 2008-03-12 EP disclosed
EP-1620564-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS Cytovia, Inc. (US) 2006-02-01 EP disclosed
EP-1180991-A4 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2005-10-12 EP disclosed
WO-2004094647-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA, INC. (US) 2004-11-04 WO disclosed
US-6613762-B2 Synergystic mixtures comprising prodrugs, 9,10-dihydrogambogic acid and antibodies, cell growth factors or cytokines, used as anticarcinogenic agents CYTOVIA, INC. 2003-09-02 US disclosed
US-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2003-04-24 US disclosed
US-6462041-B1 ACTIVATORS OF CASPASE CASCADE; TREATING, PREVENTING OR AMELIORATING NEOPLASIA AND CANCER CYTOVIA, INC. 2002-10-08 US disclosed
EP-1180991-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2002-02-27 EP disclosed
WO-2000044216-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2000-08-03 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 (2 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-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CASP5, CASP3, CASP7 TAAR1 4047/4885HIF1A 493/4885HTR3A 4243/4885
US-20090259054-A1 Methods and Compositions for the Treatment of Angiogenesis and Macular Degeneration PDE6D, PDE6H, VEGFA TAAR1 2556/4885HIF1A 79/4885HTR3A 1371/4885

“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.