SCHEMBL2431489

SCHEMBL2431489

COC(=O)c1sc(-c2ccc(NC(=O)c3csc(NC(=O)OC(C)(C)C)n3)cc2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.35
LCK P06239 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
USP30 Q70CQ3 1/20 0.32
LEF1 Q9UJU2 1/20 0.31
PTPN1 P18031 2/20 0.31

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
SCHEMBL2431488 1.00 ABCB1 (0.35) ABCB1LCKKDM4EHTTATM
SCHEMBL2429066 0.88 KDM4E (0.39) KDM4EHTTATMNPC1RAB9A
SCHEMBL2429067 0.88 KDM4E (0.39) KDM4EHTTATMNPC1RAB9A
SCHEMBL2435739 0.87 NPC1 (0.38) KDM4EHTTATMNPC1RAB9A
SCHEMBL2435741 0.87 NPC1 (0.38) KDM4EHTTATMNPC1RAB9A
SCHEMBL2432572 0.86 MAPT (0.37) KDM4EHTTATMNPC1RAB9A
SCHEMBL2432569 0.86 MAPT (0.37) KDM4EHTTATMNPC1RAB9A
SCHEMBL2432670 0.83 PTPN1 (0.46) KDM4EHTTATMNPC1RAB9A
SCHEMBL2432673 0.83 PTPN1 (0.46) KDM4EHTTATMNPC1RAB9A
SCHEMBL2431283 0.82 GRM4 (0.38) KDM4EHTTATMNPC1RAB9A

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 4 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
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

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 ABCB1 678/4885LCK 2777/4885KDM4E 1120/4885

“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.