SCHEMBL587469

SCHEMBL587469

Nc1ccn([C@@]2(O)O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.53
PDE4D Q08499 1/20 0.53
SLC29A1 Q99808 1/20 0.53
LMNA P02545 5/20 0.47
MTOR P42345 2/20 0.47
THRB P10828 1/20 0.47
MDM2 Q00987 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
CACNA1F O60840 2/20 0.38
ALB P02768 2/20 0.38
MAPT P10636 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
POLA1 P09884 2/20 0.35
FGFR1 P11362 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
SCHEMBL587470 1.00 PDE3A (0.53) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL28997179 0.88 PDE3A (0.52) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL14379744 0.84 PDE3A (0.52) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL23258348 0.84 PDE3A (0.56) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL4750195 0.83 PDE3A (0.51) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL3474446 0.83 PDE3A (0.53) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL27999217 0.82 PDE3A (0.52) PDE3APDE4DSLC29A1LMNAMTOR
Hydrochloric Acid SCHEMBL3345909 0.82 PDE3A (0.52) PDE3APDE4DSLC29A1LMNAMTOR
Methyl Alcohol SCHEMBL27751480 0.82 PDE3A (0.52) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL223208 0.79 PDE3A (0.54) PDE3APDE4DSLC29A1LMNAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2416781-B1 COMBINATION OF CYTIDINE-BASED ANTINEOPLASTIC DRUGS WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER OTSUKA PHARMA CO LTD (JP) 2017-03-08 EP disclosed
EP-2417146-B1 (2'-DEOXY-RIBOFURANOSYL)-1,3,4,7-TETRAHYDRO-(1,3)DIAZEPIN-2-ONE DERIVATIVES FOR TREATING CANCER OTSUKA PHARMA CO LTD (JP) 2016-07-13 EP disclosed
US-9040501-B2 Compositions and methods for treating cancer OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-20140221305-A1 Compositions and Methods for Treating Cancer EISAI INC. (US) 2014-08-07 US disclosed
US-8609631-B2 Compositions and methods for treating cancer EISAI INC. (US) 2013-12-17 US disclosed
US-20130116207-A1 Compositions and Methods for Treating Cancer EISAI INC. (US) 2013-05-09 US disclosed
US-8329665-B2 Compositions and methods for treating cancer EISAI INC. (US) 2012-12-11 US disclosed
US-8324180-B2 Compositions and methods for treating cancer EISAI INC. (US) 2012-12-04 US disclosed
EP-2416781-A1 COMBINATION OF CYTIDINE-BASED ANTINEOPLASTIC DRUGS WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER Eisai Inc. (US) 2012-02-15 EP disclosed
EP-2417146-A1 (2 ' -DEOXY-RIBOFURANOSYL) -1,3,4, 7-TETRAHYDRO- (1,3) IAZEPIN-2-0NE DERIVATIVES FOR TREATING CANCER Eisai Inc. (US) 2012-02-15 EP disclosed
US-20100279966-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER EISAI INC. (US) 2010-11-04 US disclosed
US-20100279977-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER EISAI INC. (US) 2010-11-04 US disclosed
WO-2010118006-A1 (2 ' -DEOXY-RIBOFURANOSYL) -1,3,4, 7-TETRAHYDRO- (1,3) IAZEPIN-2-0NE DERIVATIVES FOR TREATING CANCER EISAI INC. (US) 2010-10-14 WO disclosed
WO-2010118013-A1 COMBINATION OF CYTIDINE-BASED ANTINEOPLASTIC DRUGS WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER EISAI INC. (US) 2010-10-14 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 (4 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-20140221305-A1 Compositions and Methods for Treating Cancer RNASE1, UNG, HCCS PDE3A 1457/4885PDE4D 2388/4885SLC29A1 3938/4885
US-20100279977-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER RNASE1, UNG, HCCS PDE3A 1457/4885PDE4D 2388/4885SLC29A1 3938/4885
US-20130116207-A1 Compositions and Methods for Treating Cancer RNASE1, UNG, HCCS PDE3A 1457/4885PDE4D 2388/4885SLC29A1 3938/4885
US-20100279966-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER RNASE1, UNG, HCCS PDE3A 1457/4885PDE4D 2388/4885SLC29A1 3938/4885

“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.