SCHEMBL2431208

SCHEMBL2431208

COC(=O)c1sc(-c2ccc(NC(=O)c3ccccn3)s2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.36
GRM4 Q14833 2/20 0.36
PTPN1 P18031 1/20 0.35
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 4/20 0.35
PKM P14618 2/20 0.34
KDM5A P29375 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL2433595 0.93 GRM4 (0.36) MAPTHTTGRM4RAB9ASMN1; SMN2
SCHEMBL2429131 0.90 GRM4 (0.33) KDM4EHTTATMGRM4
SCHEMBL2433596 0.89 MAPT (0.36) MAPTHTTGRM4RAB9ASMN1; SMN2
SCHEMBL2432673 0.88 PTPN1 (0.46) MAPTKDM4EHTTATMGRM4
SCHEMBL2432670 0.88 PTPN1 (0.46) MAPTKDM4EHTTATMGRM4
SCHEMBL2435744 0.87 RAB9A (0.41) MAPTKDM4EHTTATMGRM4
SCHEMBL2435749 0.87 RAB9A (0.41) MAPTKDM4EHTTATMGRM4
SCHEMBL14042864 0.82 KDM4E (0.43) MAPTKDM4EHTTATMRAB9A
SCHEMBL2428555 0.82 GRM4 (0.31) GRM4
SCHEMBL4156654 0.80 KDM4E (0.53) MAPTKDM4EHTTATMRAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 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 (1 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 MAPT 3802/4885KDM4E 1120/4885HTT 3128/4885

“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.