SCHEMBL13879377

SCHEMBL13879377

CCOC(=O)CCC1NC(=O)N(c2cccs2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
ADORA2B P29275 2/20 0.38
BRD4 O60885 2/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13879361 0.79 ALDH1A1 (0.36) ALDH1A1ADORA2BCYP1A2HSD17B10HPGD
SCHEMBL13879480 0.76 CDC25B (0.42) PKMKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL13879442 0.75 ALOX15 (0.43) PKMKMT2AALDH1A1KDM4EHPGD
SCHEMBL13879466 0.70 TAS2R8 (0.39)
SCHEMBL13879398 0.69 GAA (0.53) ALDH1A1CYP1A2NPSR1
SCHEMBL13879381 0.69 ALDH1A1 (0.39) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL13879356 0.67 TAS2R8 (0.40) HPGD
SCHEMBL8575699 0.65 GAA (0.43) KMT2AALDH1A1CYP1A2KDM4EHSD17B10
SCHEMBL13879362 0.64 HSD17B10 (0.34) CYP1A2HSD17B10NPSR1
SCHEMBL1504839 0.64 ALDH1A1 (0.55) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 PKM 1853/4885KMT2A 2463/4885ALDH1A1 1500/4885

“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.