SCHEMBL2403645

SCHEMBL2403645

O=C(O)C1CNCC(C(=O)O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
LMNA P02545 3/20 0.33
SLC6A1 P30531 2/20 0.33
PMP22 Q01453 2/20 0.33
SLC6A11 P48066 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33

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
SCHEMBL5168218 0.86 IDUA (0.32) ALDH1A1
SCHEMBL23002195 0.84
Hydrochloric Acid SCHEMBL19138196 0.83
SCHEMBL4233982 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9289233 0.76 TSHR (0.35) TSHRLMNASLC6A1PMP22SLC6A11
SCHEMBL3412783 0.75
SCHEMBL4078884 0.75 ALDH1A1 (0.32) TSHRLMNAPMP22SLC6A11GABRP
SCHEMBL8630981 0.73 GRIA2 (0.34) TSHRALDH1A1ALOX15CYP2D6CYP1A2
SCHEMBL2572584 0.72 SLC6A1 (0.38) TSHRLMNASLC6A1PMP22SLC6A11
SCHEMBL3974964 0.70 MCL1 (0.36) TSHRLMNASLC6A1SLC6A11SMN1; SMN2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4778420-B2 2011-09-21 JP claimed
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 US claimed
EP-1615633-A4 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC (CA) 2008-07-09 EP claimed
CN-1777423-A Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED INC (CA) 2006-05-24 CN claimed
EP-1615633-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2006-01-18 EP claimed
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2005-03-17 US claimed
WO-2004093817-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-11-04 WO claimed
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP disclosed
CN-101941964-A Has the Chemokine Receptors bonded heterogeneous ring compound that promotes effect ANORMED INC 2011-01-12 CN disclosed
US-20100178271-A1 Combination Therapy GENZYME CORPORATION (US) 2010-07-15 US disclosed
US-20100003224-A1 Combination Therapy GENZYME CORPORATION (US) 2010-01-07 US disclosed
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
CN-1777423-A Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED INC (CA) 2006-05-24 CN disclosed
WO-2006020891-A2 CHEMOKINE COMBINATIONS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2006-02-23 WO disclosed
US-20060035829-A1 Chemokine combinations to mobilize progenitor/stem cells ANORMED INC. 2006-02-16 US disclosed
EP-1615633-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2006-01-18 EP disclosed
WO-2005049778-A1 LIGAND AND COMPLEX FOR CATALYTICALLY BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2005-06-02 WO disclosed
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2005-03-17 US disclosed
WO-2004093817-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-11-04 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-20060035829-A1 Chemokine combinations to mobilize progenitor/stem cells CXCL12, CXCR2, CXCR4 TSHR 2728/4885LMNA 4492/4885SLC6A1 3176/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 TSHR 1287/4885LMNA 4869/4885SLC6A1 4816/4885
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CXCR4, CXCR1, CCR5 TSHR 1287/4885LMNA 4869/4885SLC6A1 4816/4885
US-20100178271-A1 Combination Therapy CXCL12, CSF3R, CXCR4 TSHR 1447/4885LMNA 4616/4885SLC6A1 3577/4885
US-20100003224-A1 Combination Therapy CXCL12, CXCR4, SDF4 TSHR 3304/4885LMNA 2421/4885SLC6A1 2393/4885

“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.