SCHEMBL13697108

SCHEMBL13697108

Cc1cnc(C=NC(Cc2nccs2)C(=O)OC(C)(C)C)s1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.34
ALDH1A1 P00352 2/20 0.32
PKM P14618 2/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
LY96 Q9Y6Y9 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
SCHEMBL13697067 0.87 FDPS (0.38) FDPSALDH1A1PKMLMNAMAPT
SCHEMBL4174619 0.85 FDPS (0.38) FDPSALDH1A1PKMLMNAMAPT
SCHEMBL14350297 0.81 NPSR1 (0.36) ALDH1A1MAPT
SCHEMBL13697079 0.80
SCHEMBL13697115 0.79 SCN9A (0.31) LY96SLC6A3
SCHEMBL13697097 0.76 NLRP3 (0.34) FDPS
SCHEMBL14350282 0.73 MIF (0.46) ALDH1A1PKMMAPT
SCHEMBL6374179 0.73 TDP1 (0.37) ALDH1A1MAPT
SCHEMBL6374183 0.73 TDP1 (0.37) ALDH1A1MAPT
SCHEMBL14443180 0.72 CYP1A2 (0.38) FDPSALDH1A1PKMMAPT

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 2 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

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 FDPS 2009/4885ALDH1A1 67/4885PKM 214/4885
US-20090227600-A1 4-(PYRAZINE-2-YL) -PYRROLIDINE -2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, ZC3HAV1L FDPS 3314/4885ALDH1A1 164/4885PKM 503/4885

“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.