SCHEMBL4122055

SCHEMBL4122055

CC(C)(C)OC(=O)C(N)Cn1cccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
NLRP3 Q96P20 2/20 0.39
TSHR P16473 2/20 0.38
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LTA4H P09960 1/20 0.33
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC7A5 Q01650 1/20 0.32
HTT P42858 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
RORC P51449 1/20 0.31
KCNH2 Q12809 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL20705352 0.84 FDPS (0.44) FDPSNLRP3TSHRHDAC1HDAC6
SCHEMBL5225713 0.83 FDPS (0.46) FDPSNLRP3TSHRHDAC1HDAC6
Hydrochloric Acid SCHEMBL18342699 0.82 FDPS (0.45) FDPSNLRP3TSHRHDAC1HDAC6
SCHEMBL10222182 0.78 FDPS (0.50) FDPSNLRP3TSHRHDAC1HDAC6
SCHEMBL14737322 0.77 FDPS (0.41) FDPSNLRP3TSHRHDAC1HDAC6
SCHEMBL20263052 0.77 NLRP3 (0.41) FDPSNLRP3HTT
SCHEMBL20263054 0.77 NLRP3 (0.41) FDPSNLRP3HTT
SCHEMBL4153679 0.76 FDPS (0.51) FDPSNLRP3TSHRHDAC1HDAC6
SCHEMBL503649 0.76 FDPS (0.51) FDPSNLRP3TSHRHDAC1HDAC6
SCHEMBL9462503 0.76 FDPS (0.51) FDPSNLRP3TSHRHDAC1HDAC6

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-20090233972-A1 SUBSTITUTED HETEROCYCLES AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. 2009-09-17 US disclosed
US-20090227600-A1 4-(PYRAZINE-2-YL) -PYRROLIDINE -2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
CN-101087785-A 4-Methoxymethyl-pyrrolidine-2-carboxylic acid compounds and derivatives thereof as hepatitis C virus inhibitors GLAXO GROUP LTD (GB) 2007-12-12 CN disclosed
US-20070270475-A1 4-Methoxy-Pyrrolidine-2-Carboxylic Acid Compounds and Derivatives Thereof as Hepatitis C Virus Inhibitors GLAXO GROUP LIMITED (GB) 2007-11-22 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 (3 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-20070270475-A1 4-Methoxy-Pyrrolidine-2-Carboxylic Acid Compounds and Derivatives Thereof as Hepatitis C Virus Inhibitors HAVCR2, BCKDK, ZC3HAV1L FDPS 2009/4885NLRP3 953/4885TSHR 2531/4885
US-20090227600-A1 4-(PYRAZINE-2-YL) -PYRROLIDINE -2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, ZC3HAV1L FDPS 3314/4885NLRP3 589/4885TSHR 1641/4885
US-20090233972-A1 SUBSTITUTED HETEROCYCLES AS ANTI-INFECTIVES HAVCR2, EIF2AK2, HCCS FDPS 45/4885NLRP3 2185/4885TSHR 4424/4885

“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.