SCHEMBL4174619

SCHEMBL4174619

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
SLC6A3 Q01959 3/20 0.33
CTSA P10619 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 2/20 0.31
LMNA P02545 2/20 0.31
XBP1 P17861 1/20 0.31
ALDH1A1 P00352 1/20 0.30
JAK2 O60674 1/20 0.30
EGFR P00533 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL13697108 0.85 FDPS (0.34) FDPSSLC6A3PKMLMNAALDH1A1
SCHEMBL4174586 0.83 FDPS (0.44) FDPSSLC6A3CTSAPKMALDH1A1
SCHEMBL4174581 0.83 FDPS (0.44) FDPSSLC6A3CTSAPKMALDH1A1
SCHEMBL4682868 0.78 ALDH1A1 (0.39) FDPSSLC6A3CTSANPC1RAB9A
SCHEMBL4682866 0.78 ALDH1A1 (0.39) FDPSSLC6A3CTSANPC1RAB9A
SCHEMBL4164872 0.78 SLC6A3 (0.33) SLC6A3NPC1RAB9A
SCHEMBL4161077 0.76 GPR142 (0.33) SLC6A3CTSALMNAALDH1A1
SCHEMBL4167982 0.72 TSHR (0.39) FDPSSLC6A3CTSANPC1RAB9A
SCHEMBL13697067 0.69 FDPS (0.38) FDPSPKMLMNAALDH1A1TRPM8
SCHEMBL4164862 0.69 ALDH1A1 (0.40) LMNAXBP1ALDH1A1JAK2EGFR

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 6 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-1812431-A1 4-(PYRAZINE-2-YL)-PYRROLIDINE-2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS GLAXO GROUP LIMITED (GB) 2007-08-01 EP 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
WO-2006045615-A1 4- (PYRAZINE-2-YL) -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 FDPS 2009/4885SLC6A3 4494/4885CTSA 2863/4885
US-20090227600-A1 4-(PYRAZINE-2-YL) -PYRROLIDINE -2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, ZC3HAV1L FDPS 3314/4885SLC6A3 4559/4885CTSA 2188/4885

“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.