SCHEMBL4192573

SCHEMBL4192573

C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.46
CTSK P43235 6/20 0.46
CYP2D6 P10635 1/20 0.44
PPARA Q07869 7/20 0.44
PPARG P37231 6/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ACE P12821 1/20 0.43
PPARD Q03181 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
IDO1 P14902 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 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
SCHEMBL25266674 1.00 CTSS (0.46) CTSSCTSKCYP2D6PPARAPPARG
SCHEMBL26986424 0.89 CTSK (0.44) CTSSCTSKCYP2D6PPARAPPARG
SCHEMBL27017535 0.89 CTSK (0.44) CTSSCTSKCYP2D6PPARAPPARG
SCHEMBL2156607 0.85 CTSS (0.47) CTSSCTSKCYP2D6PPARAPPARG
SCHEMBL2156601 0.85 CTSS (0.47) CTSSCTSKCYP2D6PPARAPPARG
SCHEMBL7208742 0.85 CTSS (0.47) CTSSCTSKCYP2D6PPARAPPARG
SCHEMBL1486220 0.83 CTSS (0.50) CTSSCTSKCYP2D6PPARAPPARG
SCHEMBL688341 0.83 CTSS (0.50) CTSSCTSKCYP2D6PPARAPPARG
SCHEMBL3323682 0.83 CTSS (0.50) CTSSCTSKCYP2D6PPARAPPARG
SCHEMBL3682214 0.81 CYP2D6 (0.55) CTSSCTSKCYP2D6PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159548-A Antiviral compounds 安力高医药股份有限公司 2024-06-07 CN disclosed
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
CN-115698035-A Inhibitors of norovirus and coronavirus replication 共晶制药公司 2023-02-03 CN disclosed
EP-1554235-B1 PROCESS FOR SYNTHESIZING L-Y-METHYLENE GLUTAMIC ACID AND ANALOGS BIONUMERIK PHARMACEUTICALS INC (US) 2009-02-18 EP disclosed
EP-1554235-A4 PROCESS FOR SYNTHESIZING L-Y-METHYLENE GLUTAMIC ACID AND ANALOGS BIONUMERIK PHARMACEUTICALS INC (US) 2007-04-04 EP disclosed
US-6977311-B2 Process for synthesizing L-γ-methylene glutamic acid and analogs BIONUMERIK PHARMACEUTICALS, INC. (US) 2005-12-20 US disclosed
EP-1554235-A2 PROCESS FOR SYNTHESIZING L-Y-METHYLENE GLUTAMIC ACID AND ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2005-07-20 EP disclosed
US-20040106826-A1 Process for synthesizing L--methylene glutamic acid and analogs BIONUMERIK PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2004039314-A2 PROCESS FOR SYNTHESIZING L-Y-METHYLENE GLUTAMIC ACID AND ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2004-05-13 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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 CTSS 135/4885CTSK 2355/4885CYP2D6 1394/4885
US-20040106826-A1 Process for synthesizing L--methylene glutamic acid and analogs GLUL, QPCT, RIMKLA CTSS 2673/4885CTSK 2100/4885CYP2D6 1475/4885

“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.