SCHEMBL2434814

SCHEMBL2434814

COC(=O)c1sc(I)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 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
SCHEMBL2434817 1.00 KDM4E (0.32) KDM4EHTTATMALDH1A1TP53
SCHEMBL4796290 0.91 KDM4E (0.31) KDM4EHTTATMALDH1A1TP53
SCHEMBL4796274 0.91 KDM4E (0.31) KDM4EHTTATMALDH1A1TP53
SCHEMBL2427752 0.88 KDM4E (0.33) KDM4EHTTATMALDH1A1TP53
SCHEMBL2427754 0.88 KDM4E (0.33) KDM4EHTTATMALDH1A1TP53
SCHEMBL2106637 0.87 KDM4E (0.32) KDM4EHTTATMALDH1A1TP53
SCHEMBL2106635 0.87 KDM4E (0.32) KDM4EHTTATMALDH1A1TP53
SCHEMBL2433831 0.85 POLB (0.32) KDM4EHTTATMALDH1A1TP53
SCHEMBL2433828 0.85 POLB (0.32) KDM4EHTTATMALDH1A1TP53
SCHEMBL2434279 0.85

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 KDM4E 1120/4885HTT 3128/4885ATM 4195/4885

“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.