SCHEMBL5885705

SCHEMBL5885705

CCOC(=O)Cn1c(C)cnc(O)c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.42
PIN1 Q13526 1/20 0.41
PIN4 Q9Y237 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 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
SCHEMBL6848920 0.85 TNF (0.50) KDM4EALDH1A1
SCHEMBL4901672 0.84 ALDH1A1 (0.48) KDM4EALDH1A1GSK3AGSK3BCYP1A2
SCHEMBL7139116 0.80 KDM4E (0.45) KDM4EALDH1A1GSK3AGSK3BCYP1A2
SCHEMBL12636573 0.73 FPR2 (0.46) KDM4EALDH1A1GSK3AGSK3BRAB9A
SCHEMBL23460858 0.72 KDM4E (0.48) KDM4EALDH1A1GSK3AGSK3BCYP1A2
SCHEMBL12636632 0.72 ALDH1A1 (0.48) KDM4EALDH1A1GSK3AGSK3BCYP1A2
SCHEMBL1988320 0.71 ALDH1A1 (0.66) KDM4EALDH1A1GSK3AGSK3BCYP1A2
SCHEMBL7082273 0.71 ALDH1A1 (0.49) KDM4EALDH1A1GSK3AGSK3BCYP1A2
SCHEMBL28415185 0.71 TNF (0.47) KDM4EALDH1A1
SCHEMBL7220909 0.71 KDM4E (0.51) KDM4EALDH1A1GSK3AGSK3BCYP1A2

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-7030110-B2 Cyclic oxyguanidine pyrazinones as protease inhibitors ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
US-20060058291-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-03-16 US disclosed
US-20030073702-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-6476016-B2 INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-6462050-B1 FOR TREATING OR PREVENTING VENOUS, CARDIOGENIC, AND ARTERIAL THROMBOSIS/EMBOLISM, ATHERSCLEROSIS, AND FOR LOWERING PROPENSITY OF DEVICES THAT COME INTO CONTACT WITH BLOOD TO CLOT BLOOD MERCK & CO., INC. 2002-10-08 US disclosed
US-20020052357-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-05-02 US disclosed
US-20020035115-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2002-03-21 US disclosed
US-6011038-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 2000-01-04 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 (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-20020052357-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, SERPINE1, TFPI KDM4E 2813/4885ALDH1A1 2762/4885GSK3A 1521/4885
US-20030073702-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, SERPINE1, TFPI KDM4E 2813/4885ALDH1A1 2762/4885GSK3A 1521/4885
US-20020035115-A1 Thrombin inhibitors TFPI, PLAT, F2 KDM4E 2960/4885ALDH1A1 4534/4885GSK3A 1540/4885
US-20060058291-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, TFPI, F12 KDM4E 2864/4885ALDH1A1 3782/4885GSK3A 1735/4885

“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.