SCHEMBL17830707

SCHEMBL17830707

O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)OCc3ccccc3)c3ccc(Br)cc32)SC1=S

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 5/20 0.61
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CTDSP1 Q9GZU7 3/20 0.53
CACNA1B Q00975 3/20 0.51
APBA1 Q02410 3/20 0.51
PTPN7 P35236 2/20 0.51
PTPN22 Q9Y2R2 2/20 0.51
APOBEC3G Q9HC16 1/20 0.51
PTGES O14684 1/20 0.51
DUSP3 P51452 3/20 0.51
PTPN12 Q05209 1/20 0.51
TDP1 Q9NUW8 2/20 0.48
MCL1 Q07820 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
CCR6 P51684 1/20 0.48
KAT2B Q92831 4/20 0.46
EP300 Q09472 3/20 0.46

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
SCHEMBL17830705 0.90 APEX1 (0.61) APEX1MEN1KMT2ACTDSP1CACNA1B
SCHEMBL17830706 0.90 KMT2A (0.62) APEX1MEN1KMT2ACTDSP1CACNA1B
SCHEMBL17832352 0.85 APEX1 (0.57) APEX1MEN1KMT2ACTDSP1CACNA1B
SCHEMBL17830698 0.85 APEX1 (0.57) APEX1MEN1KMT2ACTDSP1CACNA1B
SCHEMBL17830695 0.83 KAT2B (0.54) APEX1MEN1KMT2ACTDSP1CACNA1B
SCHEMBL17830699 0.83 MEN1 (0.61) APEX1MEN1KMT2ACTDSP1CACNA1B
SCHEMBL17830700 0.82 MEN1 (0.55) APEX1MEN1KMT2ACTDSP1CACNA1B
SCHEMBL17830696 0.82 APEX1 (0.54) APEX1MEN1KMT2ACTDSP1CACNA1B
SCHEMBL13586997 0.81 KAT2B (0.65) APEX1MEN1KMT2ACTDSP1CACNA1B
SCHEMBL17830693 0.81 PTPN7 (0.60) APEX1MEN1KMT2ACTDSP1CACNA1B

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
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 US 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-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS BCL6, BCL6B, BAZ2A APEX1 3100/4885MEN1 3321/4885KMT2A 1188/4885

“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.