SCHEMBL4164865

SCHEMBL4164865

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
FFAR2 O15552 1/20 0.36
JAK2 O60674 1/20 0.34
EGFR P00533 1/20 0.34
HSPA5 P11021 1/20 0.34
HSPA2 P54652 1/20 0.34
GCK P35557 1/20 0.34
LMNA P02545 3/20 0.33
XBP1 P17861 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
ADORA2A P29274 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4164862 1.00 ALDH1A1 (0.40) ALDH1A1FFAR2JAK2EGFRHSPA5
SCHEMBL5219207 0.84 CTSA (0.39)
SCHEMBL5219201 0.84 CTSA (0.39)
SCHEMBL14541594 0.82 CDK4 (0.34) ALDH1A1FFAR2HSPA5HSPA2GCK
SCHEMBL5218373 0.81 ALDH1A1 (0.38) ALDH1A1JAK2EGFRHSPA5GCK
SCHEMBL5218369 0.81 ALDH1A1 (0.38) ALDH1A1JAK2EGFRHSPA5GCK
SCHEMBL6374179 0.81 TDP1 (0.37) ALDH1A1FFAR2XBP1CDK4CCND1
SCHEMBL6374183 0.81 TDP1 (0.37) ALDH1A1FFAR2XBP1CDK4CCND1
SCHEMBL4174586 0.81 FDPS (0.44) ALDH1A1JAK2EGFRSMN1; SMN2TSHR
SCHEMBL4174581 0.81 FDPS (0.44) ALDH1A1JAK2EGFRSMN1; SMN2TSHR

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 24 patents — showing the first 20. 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
EP-1554274-B1 1-ACYL-PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS GLAXO GROUP LTD (GB) 2008-12-24 EP 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
EP-1440069-B1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LTD (GB) 2007-08-15 EP 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
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
WO-2007039143-A1 C (2) -HETEROARYLMETHYL-C (4) -PYRAZIN-2-YL ACYL PYRROLIDINE COMPOUNDS AND THEIR USER FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITICS C (HCV) GLAXO GROUP LIMITED (GB) 2007-04-12 WO disclosed
EP-1740582-A1 ACYL DIHYDRO PYRROLE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-10 EP disclosed
US-20060258720-A1 1-Acyl-pyrrolidine derivatives for the treatment of viral infections GLAXO GROUP LIMITED (GB) 2006-11-16 US disclosed
US-20050043545-A1 4-(5-Membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors GLAXO GROUP LIMITED (GB) 2005-02-24 US disclosed
WO-2004076415-A1 1- (HETERO)AROYL-PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS ANTI.VIRAL AGENTS GLAXO GROUP LIMITED (GB) 2004-09-10 WO disclosed
EP-1440069-A1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-28 EP disclosed
EP-1440070-A1 4-(5-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-28 EP disclosed
EP-1440068-A1 ACYL DIHYDRO PYRROLE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-28 EP disclosed
WO-2004060889-A1 5-THIAZOLE SUBSTITUTED 2-PYRROLIDINE-CARBOXYLIC ACIDS GLAXO GROUP LIMITED (GB) 2004-07-22 WO disclosed
WO-2004009543-A2 1-CARBONYL-4-CYANO-PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-29 WO disclosed
WO-2003037895-A1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-08 WO disclosed
WO-2003037894-A1 4-(5-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-08 WO disclosed
WO-2003037893-A1 ACYL DIHYDRO PYRROLE 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 (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-20060258720-A1 1-Acyl-pyrrolidine derivatives for the treatment of viral infections HAVCR2, LIPC, ACADVL ALDH1A1 304/4885FFAR2 2826/4885JAK2 510/4885
US-20050043545-A1 4-(5-Membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors NR1H3, NR1H2, NR1I3 ALDH1A1 234/4885FFAR2 236/4885JAK2 2607/4885
US-20090227600-A1 4-(PYRAZINE-2-YL) -PYRROLIDINE -2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, ZC3HAV1L ALDH1A1 164/4885FFAR2 2071/4885JAK2 98/4885

“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.