SCHEMBL4745588

SCHEMBL4745588

Nc1ccn([C@@]2(F)CC[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.45
PDE4D Q08499 1/20 0.45
SLC29A1 Q99808 1/20 0.45
LMNA P02545 5/20 0.40
CACNA1F O60840 2/20 0.40
ALB P02768 2/20 0.40
MAPT P10636 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40
THRB P10828 1/20 0.39
MTOR P42345 1/20 0.39
MDM2 Q00987 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
FGFR1 P11362 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL30612477 0.84 LMNA (0.41) PDE3APDE4DSLC29A1LMNACACNA1F
SCHEMBL8104294 0.84 LMNA (0.41) PDE3APDE4DSLC29A1LMNACACNA1F
SCHEMBL5903747 0.83 LMNA (0.40) PDE3APDE4DSLC29A1LMNACACNA1F
SCHEMBL27416424 0.80 LMNA (0.38) PDE3APDE4DSLC29A1LMNACACNA1F
SCHEMBL8673536 0.79 POLG (0.51) POLBPOLA1POLG
SCHEMBL7062916 0.79 ALB (0.33) ALB
SCHEMBL30818468 0.78 PDE3A (0.36) PDE3APDE4DSLC29A1LMNACACNA1F
SCHEMBL3038818 0.77 PDE3A (0.52) PDE3APDE4DSLC29A1LMNACACNA1F
SCHEMBL5940639 0.77 PDE3A (0.44) PDE3APDE4DSLC29A1LMNACACNA1F
SCHEMBL30612741 0.77 PDE3A (0.46) PDE3APDE4DSLC29A1LMNACACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION LIAONING LIFENG SCIENT & TECHNOLOGY DEV COMPANY LTD (CN) 2015-06-04 US claimed
WO-2007106450-A2 DIKETO ACIDS WITH NUCLEOBASE SCAFFOLDS: ANTI-HIV REPLICATION INHIBITORS TARGETED AT HIV INTEGRASE IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-09-20 WO claimed
US-7205404-B1 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2007-04-17 US claimed
US-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION LIAONING LIFENG SCIENT & TECHNOLOGY DEV COMPANY LTD (CN) 2015-06-04 US disclosed
US-20130303479-A1 Antiretroviral Cyclonucleoside Compositions and Methods and Articles of Title of Invention Manufacture Therewith HAWLEY TODD WILLIAM (US) 2013-11-14 US disclosed
WO-2012100017-A2 ANTIRETROVIRAL CYCLONUCLEOSIDE COMPOSITIONS AND METHODS AND ARTICLES OF MANUFACTURE THEREWITH LENTX, INC. (US) 2012-07-26 WO disclosed
US-20080249066-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 US disclosed
WO-2008118879-A2 ANTIVIRAL COMPOSITIONS COMPRISING 2 COMPOUNDS ARDEA BIOSCIENCES, INC. (US) 2008-10-02 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 (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-20080249066-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS PNP, TYMP, MTAP PDE3A 948/4885PDE4D 1162/4885SLC29A1 82/4885
US-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION CYP11B1, CYP51A1, CYP11B2 PDE3A 461/4885PDE4D 1570/4885SLC29A1 2242/4885

“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.