SCHEMBL5578431

SCHEMBL5578431

CCOC(=O)C1(O)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
CTSK P43235 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
JAK3 P52333 2/20 0.35
ADORA1 P30542 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
OPRM1 P35372 5/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
NAMPT P43490 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL24471425 0.84 GRIN2B (0.39) GRIN2BGRIN2CCTSKMEN1KMT2A
SCHEMBL692636 0.84 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL4309286 0.84 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL4437296 0.84 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL8950892 0.83 GRIN2B (0.38) GRIN2BGRIN2CCTSKMEN1KMT2A
SCHEMBL20329119 0.81 GRIN2B (0.37) GRIN2BGRIN2CCTSKMEN1KMT2A
SCHEMBL199926 0.80 GRIN2B (0.41) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL1268184 0.80 GRIN2B (0.41) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL2774828 0.80 GRIN2B (0.41) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL8639686 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021330-A1 Aza-peptide macrocyclic hepatitis c serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-01-25 US disclosed
US-7125845-B2 Aza-peptide macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2006-10-24 US disclosed
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-03-24 US disclosed
WO-2005010029-A1 AZA-PEPTIDE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2005-02-03 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 (2 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-20070021330-A1 Aza-peptide macrocyclic hepatitis c serine protease inhibitors VIP, CTSC, DPP4 GRIN2B 4495/4885GRIN2C 4188/4885CTSK 135/4885
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors VIP, CTSC, PRSS1 GRIN2B 4543/4885GRIN2C 4217/4885CTSK 142/4885

“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.