SCHEMBL3376998

SCHEMBL3376998

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(N)=Nc1ccc(CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.47
NOS3 P29474 8/20 0.47
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NOS2 P35228 8/20 0.35
PLAU P00749 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
TPSAB1 Q15661 2/20 0.33
PRSS1 P07477 2/20 0.33
GRM2 Q14416 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
AOC3 Q16853 1/20 0.33
F2 P00734 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL3795065 0.81 PARP10 (0.35) NOS1NOS3NOS2PRSS1
SCHEMBL3376984 0.81 PARP10 (0.35) NOS1NOS3NOS2PRSS1
SCHEMBL6529111 0.72 GPR119 (0.46) PPARGPPARAGPR119PRSS1PRSS2
SCHEMBL8491401 0.72 CTSD (0.40) NOS1NOS3NOS2GRM2
SCHEMBL17560326 0.72 HTR3E (0.55) NOS1NOS3NOS2PRSS1
SCHEMBL21996265 0.72 PPARG (0.41) PPARGPPARAGPR119GRM2
SCHEMBL3804463 0.71 NPFFR1 (0.46) NOS1NOS3PPARGPPARAGPR119
SCHEMBL28048659 0.70 NOS2 (0.45) NOS2
SCHEMBL28284964 0.70 GRIN2B (0.45)
SCHEMBL1935308 0.70 PPARG (0.46) PPARGPPARAGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752455-B1 Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2010-11-10 EP disclosed
EP-1752455-A2 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2007-02-14 EP disclosed
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-11-09 US disclosed
US-7091217-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-08-15 US disclosed
EP-1317451-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-08-09 EP disclosed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 US disclosed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US disclosed
EP-1317451-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 US disclosed
WO-2002034745-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-05-02 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 (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-20060252795-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 NOS1 2995/4885NOS3 2150/4885PPARG 503/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 NOS1 2995/4885NOS3 2150/4885PPARG 503/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 NOS1 2995/4885NOS3 2150/4885PPARG 503/4885

“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.