SCHEMBL424159

SCHEMBL424159

COc1ccc(-c2c(C3CCCCC3)c3sc(C(=O)O)cc3n2CC(=O)N2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
PTGS2 P35354 3/20 0.45
USP2 O75604 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FKBP1A P62942 2/20 0.40
POLB P06746 2/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2996624 0.91 MAPK1 (0.44) GRIN2BUSP2NPC1RAB9ATP53
Hydrochloric Acid SCHEMBL427755 0.90 PTGS2 (0.44) GRIN1GRIN2BPTGS2NPC1RAB9A
SCHEMBL2988730 0.90 MAPK1 (0.43) GRIN2BPTGS2TP53KDM4EALDH1A1
SCHEMBL423822 0.89 ACHE (0.41) GRIN1GRIN2BPTGS2RAB9AKDM4E
SCHEMBL5236137 0.89 GRIN1 (0.46) GRIN1GRIN2BPTGS2USP2NPC1
SCHEMBL2997041 0.89 MAPK1 (0.44) NPC1RAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL421689 0.89 GRIN1 (0.38) GRIN1GRIN2BPTGS2RAB9AALDH1A1
SCHEMBL2996596 0.88 MAPT (0.40) GRIN1GRIN2BPTGS2NPC1RAB9A
SCHEMBL2990438 0.88 LMNA (0.38) GRIN1GRIN2BPOLBGAAL3MBTL1
SCHEMBL2995703 0.88 ALDH1A1 (0.38) GRIN1GRIN2BPTGS2TP53KDM4E

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US claimed
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US claimed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US claimed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US claimed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed
JP-2007505091-A 2007-03-08 JP claimed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP claimed
EP-1664059-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-07 EP claimed
WO-2005023819-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-03-17 WO claimed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI GRIN1 4461/4885GRIN2B 4618/4885PTGS2 1887/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI GRIN1 4461/4885GRIN2B 4618/4885PTGS2 1887/4885
US-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT GRIN1 2089/4885GRIN2B 2535/4885PTGS2 2650/4885

“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.