SCHEMBL1760952

SCHEMBL1760952

O=C(ON1CCC(Cc2ccc(C(F)(F)F)cc2)C1)C(=O)ON1CCC(Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.49
LIPG Q9Y5X9 1/20 0.49
SLC2A1 P11166 1/20 0.47
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
CCR3 P51677 2/20 0.43
CCR5 P51681 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
RPS6KB1 P23443 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
LIPE Q05469 1/20 0.40
TEAD1 P28347 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL1812750 0.90 SLC2A1 (0.48) LPLLIPGSLC2A1HIF1AEPAS1
SCHEMBL1760845 0.82 ALDH1A1 (0.47) CCR3CCR5SLC6A2SLC6A4ALDH1A1
SCHEMBL5202187 0.82 SLC2A1 (0.53) LPLLIPGSLC2A1HIF1AEPAS1
SCHEMBL28045809 0.81 SLC2A1 (0.49) LPLLIPGSLC2A1HIF1AEPAS1
SCHEMBL3544684 0.80 SMN1; SMN2 (0.49) CCR3CCR5
SCHEMBL2933144 0.78 SLC2A1 (0.55) LPLLIPGSLC2A1HIF1AEPAS1
SCHEMBL3543101 0.77 HTR2C (0.43) LIPEKDM4EALDH1A1
SCHEMBL17339939 0.76 SLC6A2 (0.52) LPLLIPGSLC2A1HIF1AEPAS1
SCHEMBL23632750 0.75 TGFBR1 (0.50) LPLLIPGSLC2A1CCR5KDM4E
SCHEMBL29138824 0.74 SLC6A2 (0.48) LPLLIPGSLC2A1HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
EP-1778675-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF Cylene Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006015150-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF CYLENE PHARMACEUTICALS (US) 2006-02-09 WO disclosed
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof CYLENE PHARMACEUTICALS 2006-02-02 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 (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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 LPL 1484/4885LIPG 1995/4885SLC2A1 566/4885
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof PIN1, HPD, DHPS LPL 3239/4885LIPG 2209/4885SLC2A1 4667/4885
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R LPL 3982/4885LIPG 2424/4885SLC2A1 621/4885

“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.