SCHEMBL4139800

SCHEMBL4139800

COC(=O)c1sc(-c2ccc(-c3cc4ncccn4n3)cc2)cc1N(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
PDE4D Q08499 4/20 0.35
SYK P43405 3/20 0.34
IKBKB O14920 1/20 0.32
HPGD P15428 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
AVPR1B P47901 1/20 0.30

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
SCHEMBL4139806 1.00 KDM4E (0.36) KDM4EHTTATMPDE4DSYK
SCHEMBL4138722 0.93 APOBEC3A (0.33) PDE4DSYKPI4KB
SCHEMBL4138718 0.93 APOBEC3A (0.33) PDE4DSYKPI4KB
SCHEMBL4140062 0.91 KDM4E (0.38) KDM4EHTTATMPDE4DSYK
SCHEMBL4140069 0.91 KDM4E (0.38) KDM4EHTTATMPDE4DSYK
SCHEMBL4158162 0.88 KDM4E (0.35) KDM4EHTTATMSYKIKBKB
SCHEMBL4158161 0.88 KDM4E (0.35) KDM4EHTTATMSYKIKBKB
SCHEMBL4797630 0.87 KDM4E (0.34) KDM4EHTTATMPDE4DSYK
SCHEMBL4797619 0.87 KDM4E (0.34) KDM4EHTTATMPDE4DSYK
SCHEMBL4795186 0.86 ALDH1A1 (0.36) KDM4EHTTATMPDE4DSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS KDM4E 794/4885HTT 3552/4885ATM 4348/4885

“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.