SCHEMBL4880307

SCHEMBL4880307

NC(=O)c1ncn([C@@H]2O[C@H](C(O)S(N)(=O)=O)[C@@H](O)[C@H]2O)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
ATIC P31939 2/20 0.52
FBP1 P09467 1/20 0.52
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45
HSP90B1 P14625 1/20 0.38
AHCY P23526 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
STING1 Q86WV6 2/20 0.38
ATG7 O95352 1/20 0.36
TYMP P19971 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8914334 0.81 KDM4E (0.59) KDM4ETDP1TP53MAPTATIC
SCHEMBL938225 0.81 ATIC (0.60) KDM4ETDP1TP53MAPTATIC
SCHEMBL8912373 0.80 KDM4E (0.57) KDM4ETDP1TP53MAPTATIC
SCHEMBL8913186 0.78 KDM4E (0.57) KDM4ETDP1TP53MAPTATIC
SCHEMBL24024802 0.76 ATIC (0.71) KDM4ETDP1TP53MAPTATIC
SCHEMBL4010175 0.75 AHCY (0.64) BLMSMN1; SMN2TSHRHSP90B1AHCY
Acadesine SCHEMBL2631614 0.74 KDM4E (1.00) KDM4ETDP1TP53MAPTATIC
Acadesine SCHEMBL6113798 0.74 KDM4E (1.00) KDM4ETDP1TP53MAPTATIC
Acadesine SCHEMBL10017743 0.74 KDM4E (1.00) KDM4ETDP1TP53MAPTATIC
Acadesine SCHEMBL2394079 0.74 KDM4E (1.00) KDM4ETDP1TP53MAPTATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495091-B1 AICA RIBOSIDE ANALOGS METABASIS THERAPEUTICS INC (US) 1999-11-24 EP claimed
US-20170216335-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS INC (US) 2017-08-03 US disclosed
EP-3132796-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT Pericor Therapeutics, Inc. (US) 2017-02-22 EP disclosed
US-9539274-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2017-01-10 US disclosed
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2015-10-01 US disclosed
US-8993527-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2015-03-31 US disclosed
EP-2594273-A1 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient Pericor Therapeutics, Inc. (US) 2013-05-22 EP disclosed
US-20080175891-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2008-07-24 US disclosed
US-20060293273-A1 Methods, Compositions, and Formulations for Preventing or Reducing Adverse Effects in a Patient PERICOR THERAPEUTICS, INC. 2006-12-28 US disclosed
EP-0495091-B1 AICA RIBOSIDE ANALOGS METABASIS THERAPEUTICS INC (US) 1999-11-24 EP disclosed
US-5777100-A INCREASING LEVELS OF ADENOSINE, CARDIOVASCULAR, ISCHEMIA GENSIA INC. (US) 1998-07-07 US disclosed
EP-0542867-A4 METHODS OF PREVENTING OR DECREASING TISSUE DAMAGE BY NOVEL ANTIOXIDANTS AND FREE RADICAL SCAVENGERS 1993-07-28 EP disclosed
EP-0542867-A1 METHODS OF PREVENTING OR DECREASING TISSUE DAMAGE BY NOVEL ANTIOXIDANTS AND FREE RADICAL SCAVENGERS GENSIA, INC. (US) 1993-05-26 EP disclosed
WO-1992002214-A1 AICA RIBOSIDE ANALOGS GENSIA PHARMACEUTICALS, INC. (US) 1992-02-20 WO disclosed
WO-1992002213-A1 METHODS OF PREVENTING OR DECREASING TISSUE DAMAGE BY NOVEL ANTIOXIDANTS AND FREE RADICAL SCAVENGERS GENSIA PHARMACEUTICALS, INC. (US) 1992-02-20 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 (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-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT TNNC1, ASAH2, PGF KDM4E 2756/4885TDP1 1988/4885TP53 4779/4885
US-20060293273-A1 Methods, Compositions, and Formulations for Preventing or Reducing Adverse Effects in a Patient TNNC1, ASAH2, PGF KDM4E 2756/4885TDP1 1988/4885TP53 4779/4885
US-20080175891-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT NNT, PGF, GART KDM4E 2821/4885TDP1 1341/4885TP53 4344/4885
US-20170216335-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT TNNC1, ASAH2, PGF KDM4E 2756/4885TDP1 1988/4885TP53 4779/4885

“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.