SCHEMBL5885508

SCHEMBL5885508

CCOC(=O)CNC(=O)C(=O)NCC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.53
▸ MGAM O43451 1/20 0.50
▸ SI P14410 1/20 0.50
▸ MGAM2 Q2M2H8 1/20 0.50
▸ EGLN1 Q9GZT9 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ PPID Q08752 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TET2 Q6N021 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PPIB P23284 1/20 0.41
▸ PPIA P62937 1/20 0.41
▸ PPIG Q13427 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL15201379 0.85 GAA (0.55) GAAMGAMSIMGAM2EGLN1
SCHEMBL24112258 0.85 GAA (0.55) GAAMGAMSIMGAM2EGLN1
SCHEMBL7730257 0.85 GAA (0.43) GAAMGAMSIMGAM2EGLN1
SCHEMBL19566667 0.82 GAA (0.54) GAAMGAMSIMGAM2EGLN1
SCHEMBL5854855 0.81 EGLN1 (0.70) GAAMGAMSIMGAM2EGLN1
SCHEMBL25766586 0.81 GAA (0.55) GAAMGAMSIMGAM2EGLN1
SCHEMBL1979843 0.81 EGLN1 (0.70) GAAMGAMSIMGAM2EGLN1
SCHEMBL48270 0.80 GAA (0.59) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL12323562 0.79 GAA (0.63) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL15290166 0.79 GAA (0.53) GAAMGAMSIMGAM2EGLN1

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
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
EP-1303510-A2 CYCLIC OXYGUANIDINE PYRAZINONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-23 — — EP 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
WO-2002009711-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-02-07 — — WO disclosed
WO-2002006248-A2 CYCLIC OXYGUANIDINE PYRAZINONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-01-24 — — WO disclosed
EP-1017393-A4 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2002-01-23 — — EP disclosed
EP-1017393-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2000-07-12 — — EP disclosed
US-6011038-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 2000-01-04 — — US disclosed
WO-1999011267-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1999-03-11 — — 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-20020052357-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, SERPINE1, TFPI GAA 947/4885MGAM 2021/4885SI 693/4885
US-20030073702-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, SERPINE1, TFPI GAA 947/4885MGAM 2021/4885SI 693/4885
US-20020035115-A1 Thrombin inhibitors TFPI, PLAT, F2 GAA 3183/4885MGAM 3736/4885SI 3065/4885
US-20060058291-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, TFPI, F12 GAA 1110/4885MGAM 2009/4885SI 1373/4885

“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.

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