SCHEMBL3249068

SCHEMBL3249068

CC(C)(C)OC(=O)NC(=N)N(OCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
IDO1 P14902 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
SYK P43405 1/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.43
TPSAB1 Q15661 2/20 0.41
TPSD1 Q9BZJ3 2/20 0.41
TPSG1 Q9NRR2 2/20 0.41
TGM2 P21980 1/20 0.39
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
CTSL P07711 2/20 0.39
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A1 P43005 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL18906954 0.89 SMN1; SMN2 (0.59) SMN1; SMN2LMNAIDO1L3MBTL1SYK
SCHEMBL15202883 0.77 SYK (0.64) SMN1; SMN2LMNAIDO1L3MBTL1SYK
SCHEMBL12196470 0.77 SMN1; SMN2 (0.76) SMN1; SMN2LMNAIDO1L3MBTL1SYK
SCHEMBL6653750 0.76 F2 (0.37) SMN1; SMN2IDO1L3MBTL1SYKMAPT
SCHEMBL5143803 0.76 SMN1; SMN2 (0.48) SMN1; SMN2LMNAIDO1L3MBTL1SYK
SCHEMBL6749458 0.76 PTGER1 (0.41) L3MBTL1MAPTHTT
SCHEMBL13174631 0.76 SMN1; SMN2 (0.62) SMN1; SMN2LMNAIDO1L3MBTL1SYK
SCHEMBL15746977 0.76 LMNA (0.70) SMN1; SMN2LMNAIDO1L3MBTL1SYK
SCHEMBL15613005 0.76 SMN1; SMN2 (0.55) SMN1; SMN2LMNAIDO1L3MBTL1SYK
SCHEMBL3485350 0.75 SMN1; SMN2 (0.66) SMN1; SMN2LMNAIDO1L3MBTL1SYK

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP claimed
EP-3089746-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2016-11-09 EP disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 WO disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
EP-1613319-B1 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2009-06-03 EP disclosed
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
EP-1036063-B1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-11-02 EP disclosed
US-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-09-21 US disclosed
US-7029654-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. 2004-12-16 US disclosed
US-6514978-B2 Compounds such as 1-(n-(2-(amidinoaminooxy)ethyl)amino) carbonylmethyl-6-methyl-3-(phenethylamino)-pyrazinone attached to a polymer coated onto a medical device for blood collection or storage; antiagglomerants 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-6472399-B2 ANTICOAGULANTS; MAY BE EMBEDDED IN OR PHYSICALLY LINKED TO MATERIALS USED IN MANUFACTURE OF DEVICES USED IN BLOOD COLLECTION, CIRCULATION, STENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-6417161-B1 KETONE AMINO DERIVATIVES 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-07-09 US disclosed
US-20020086872-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors LU TIANBAO (US) 2002-07-04 US disclosed
US-6350764-B2 FOR INHIBITING LOSS OF BLOOD PLATELETS; INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, FIBRIN, THROMBUS, AND EMBOLUS; ANTICOAGULANTS EMBEDDED IN DEVICES FOR BLOOD COLLECTION, CIRCULATION, STORAGE (CATHETERS, DIALYSIS MACHINES); STENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-26 US disclosed
US-20010021713-A1 Thromboresistant materials incorporating pyrazinone protease inhibitors LU TIANBAO (US) 2001-09-13 US disclosed
US-6245763-B1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-06-12 US disclosed
EP-1036063-A1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-09-20 EP disclosed
US-6037356-A ANTICOAGULANTS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-14 US disclosed
WO-1999026926-A1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-06-03 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-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 SMN1; SMN2 3262/4885LMNA 2305/4885IDO1 2416/4885
US-20010021713-A1 Thromboresistant materials incorporating pyrazinone protease inhibitors HPN, SERPINE1, SERPINC1 SMN1; SMN2 3929/4885LMNA 1057/4885IDO1 3210/4885
US-20020086872-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 SMN1; SMN2 3558/4885LMNA 1902/4885IDO1 1377/4885
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors TFPI, F12, SPINT2 SMN1; SMN2 2931/4885LMNA 2775/4885IDO1 1412/4885

“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.