SCHEMBL6374183

SCHEMBL6374183

CC(C)CC(N=Cc1nccs1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 5/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 2/20 0.34
XBP1 P17861 1/20 0.34
METAP1 P53582 1/20 0.34
MAPK1 P28482 3/20 0.33
GAA P10253 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL6374179 1.00 TDP1 (0.37) TDP1NPSR1POLBMAPTKMT2A
SCHEMBL13697067 0.85 FDPS (0.38) MAPTALDH1A1METAP1CDK4CCND1
SCHEMBL14443175 0.84 METAP1 (0.36) TDP1NPSR1POLBMAPTKMT2A
SCHEMBL13601089 0.84 METAP1 (0.36) TDP1NPSR1POLBMAPTKMT2A
SCHEMBL14443169 0.83 ALDH1A1 (0.47) MAPTKMT2AMEN1ALDH1A1METAP1
SCHEMBL14443173 0.82 ALDH1A1 (0.39) ALDH1A1METAP1AAK1
SCHEMBL14350282 0.82 MIF (0.46) TDP1NPSR1POLBMAPTALDH1A1
SCHEMBL4164862 0.81 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1XBP1CDK4
SCHEMBL4164865 0.81 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1XBP1CDK4
SCHEMBL14541594 0.81 CDK4 (0.34) ALDH1A1XBP1CDK4CCND1CCNE1

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 10 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-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-7304087-B2 1-acyl-pyrrolidine derivatives for the treatment of viral infections GLAXO GROUP LIMITED (GB) 2007-12-04 US disclosed
US-7304087-B2 1-acyl-pyrrolidine derivatives for the treatment of viral infections GLAXO GROUP LIMITED (GB) 2007-12-04 US disclosed
US-7259163-B2 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as HCV inhibitors GLAXO GROUP LIMITED (GB) 2007-08-21 US disclosed
US-7259163-B2 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as HCV inhibitors GLAXO GROUP LIMITED (GB) 2007-08-21 US disclosed
WO-2007039145-A1 C (2) -HETEROARYLMETHYL-C (4) -PYRAZINYL-2-YL ACYL PYRROLIDINE COMPOUNDS AND THEIR USE FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITIS C VIRUS GLAXO GROUP LIMITED (GB) 2007-04-12 WO disclosed
US-20050043545-A1 4-(5-Membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors GLAXO GROUP LIMITED (GB) 2005-02-24 US disclosed
EP-1440070-A1 4-(5-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-28 EP disclosed
WO-2003037894-A1 4-(5-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-08 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-20050043545-A1 4-(5-Membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors NR1H3, NR1H2, NR1I3 TDP1 4811/4885NPSR1 395/4885POLB 2521/4885
US-20090227600-A1 4-(PYRAZINE-2-YL) -PYRROLIDINE -2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, ZC3HAV1L TDP1 3882/4885NPSR1 4592/4885POLB 1119/4885

“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.