SCHEMBL3367030

SCHEMBL3367030

CC(=O)OCC[N+]1(C)CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 5/20 0.54
APOBEC3G Q9HC16 5/20 0.54
LMNA P02545 1/20 0.50
SLC18A3 Q16572 1/20 0.50
CDC25A P30304 1/20 0.43
PABPC1 P11940 3/20 0.42
CTDSP1 Q9GZU7 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.40
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TERT O14746 3/20 0.36

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
SCHEMBL21694121 0.83 APOBEC3A (0.49) APOBEC3AAPOBEC3GLMNASLC18A3CDC25A
Hydrochloric Acid SCHEMBL4326082 0.83 APOBEC3A (0.49) APOBEC3AAPOBEC3GLMNASLC18A3CDC25A
SCHEMBL10556416 0.81 APOBEC3A (0.72) APOBEC3AAPOBEC3GLMNASLC18A3PABPC1
SCHEMBL21694128 0.80 APOBEC3A (0.49) APOBEC3AAPOBEC3GSLC18A3CDC25APABPC1
Bromide SCHEMBL9056128 0.79 APOBEC3A (0.70) APOBEC3AAPOBEC3GLMNASLC18A3PABPC1
SCHEMBL13108406 0.78 APOBEC3A (0.48) APOBEC3AAPOBEC3GSLC18A3CDC25APABPC1
SCHEMBL13964661 0.77 APOBEC3A (0.47) APOBEC3AAPOBEC3GLMNASLC18A3CDC25A
SCHEMBL11583345 0.77 APOBEC3A (0.47) APOBEC3AAPOBEC3GLMNASLC18A3CDC25A
SCHEMBL12633575 0.76 SLC18A3 (0.60) APOBEC3AAPOBEC3GLMNASLC18A3GAA
SCHEMBL1223460 0.74 KDM4E (0.59) APOBEC3AAPOBEC3GCDC25APABPC1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A APOBEC3A 245/4885APOBEC3G 602/4885LMNA 692/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 APOBEC3A 289/4885APOBEC3G 282/4885LMNA 624/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 APOBEC3A 85/4885APOBEC3G 71/4885LMNA 340/4885

“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.