SCHEMBL2431830

SCHEMBL2431830

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.36
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP2 O95551 1/20 0.32
CASP3 P42574 1/20 0.32
CASP6 P55212 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 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
SCHEMBL2436479 0.85 KDM4E (0.38) KDM4EHTTATMALDH1A1MAPT
SCHEMBL4139437 0.85 KDM4E (0.36) KDM4EHTTATMALDH1A1MAPT
SCHEMBL4156658 0.82 KDM4E (0.53) KDM4EHTTATMALDH1A1MAPT
SCHEMBL4156654 0.82 KDM4E (0.53) KDM4EHTTATMALDH1A1MAPT
SCHEMBL13852139 0.80 KDM4E (0.42) KDM4EHTTATMALDH1A1MAPT
SCHEMBL4147348 0.80 MAPT (0.52) KDM4EHTTATMALDH1A1MAPT
SCHEMBL4155593 0.80 KDM4E (0.42) KDM4EHTTATMALDH1A1MAPT
SCHEMBL2427841 0.80 MAPT (0.44) KDM4EHTTATMALDH1A1MAPT
SCHEMBL2427840 0.80 MAPT (0.44) KDM4EHTTATMALDH1A1MAPT
SCHEMBL4147352 0.80 MAPT (0.52) KDM4EHTTATMALDH1A1MAPT

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 5 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
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
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 MITF 2702/4885KDM4E 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.