SCHEMBL4167982

SCHEMBL4167982

Cc1cnc(C=NC(Cn2cccn2)C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
FDPS P14324 1/20 0.35
NLRP3 Q96P20 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CTSA P10619 2/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HTT P42858 1/20 0.30
KDM5A P29375 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL13697097 0.85 NLRP3 (0.34) TSHRFDPSNLRP3
SCHEMBL5305921 0.80 FDPS (0.40) TSHRFDPSNLRP3HDAC1HDAC6
SCHEMBL5306518 0.80 FDPS (0.40) TSHRFDPSNLRP3HDAC1HDAC6
SCHEMBL4682868 0.76 ALDH1A1 (0.39) FDPSNPC1RAB9AALDH1A1CTSA
SCHEMBL4682866 0.76 ALDH1A1 (0.39) FDPSNPC1RAB9AALDH1A1CTSA
SCHEMBL4174619 0.72 FDPS (0.38) FDPSNPC1RAB9AALDH1A1LMNA
SCHEMBL754181 0.71 FDPS (0.39) TSHRFDPSNLRP3LMNAHDAC1
SCHEMBL4161077 0.70 GPR142 (0.33) ALDH1A1LMNACTSAKDM4CNPSR1
SCHEMBL4164872 0.69 SLC6A3 (0.33) NPC1RAB9ASLC6A3
SCHEMBL14368357 0.68 FDPS (0.34) TSHRFDPSNLRP3ALDH1A1LMNA

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-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
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
EP-1805172-A1 4-METHOXYMETHYL-PYRROLIDINE-2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS GLAXO GROUP LIMITED (GB) 2007-07-11 EP disclosed
WO-2006045613-A1 4-METHOXYMETHYL-PYRROLIDINE-2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS GLAXO GROUP LIMITED (GB) 2006-05-04 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-20070270475-A1 4-Methoxy-Pyrrolidine-2-Carboxylic Acid Compounds and Derivatives Thereof as Hepatitis C Virus Inhibitors HAVCR2, BCKDK, ZC3HAV1L TSHR 2531/4885FDPS 2009/4885NLRP3 953/4885
US-20090227600-A1 4-(PYRAZINE-2-YL) -PYRROLIDINE -2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, ZC3HAV1L TSHR 1641/4885FDPS 3314/4885NLRP3 589/4885

“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.