SCHEMBL17385331

SCHEMBL17385331

COc1ccc(NC(=O)c2cc3sc(N4CCOCC4)nc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
BLM P54132 1/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
LRRK2 Q5S007 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HCRTR1 O43613 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 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
SCHEMBL17385051 0.93 MAPT (0.46) GAACA12CA2CA9MAPT
SCHEMBL17385379 0.91 TP53 (0.52) GAAMAPTMAPK1KDM4ELMNA
SCHEMBL17385404 0.91 TP53 (0.50) GAAMAPTMAPK1KDM4ELMNA
SCHEMBL17385433 0.90 TP53 (0.54) GAAMAPTMAPK1KDM4ELMNA
SCHEMBL22677927 0.90 MAPT (0.50) GAACA12CA2CA9MAPT
SCHEMBL17385052 0.89 GPX4 (0.55) MAPTMAPK1KDM4ELMNAALDH1A1
SCHEMBL17385038 0.88 ALDH1A1 (0.48) MAPTKDM4ELMNAALDH1A1MEN1
SCHEMBL17385408 0.87 CA2 (0.48) GAACA12CA2CA9MAPT
SCHEMBL17385402 0.87 PIN1 (0.46) GAAMAPTMAPK1KDM4ELMNA
SCHEMBL22678143 0.87 MAPT (0.56) GAAMAPTMAPK1KDM4ELMNA

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-20220153756-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2022-05-19 US disclosed
EP-3157904-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2020-11-18 EP disclosed
US-20170121349-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2017-05-04 US disclosed
WO-2015193506-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-12-23 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 (2 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-20220153756-A1 ANTI-INFECTIVE COMPOUNDS RABGGTB, ELANE, SERPINB1 GAA 949/4885CA12 4638/4885CA2 4703/4885
US-20170121349-A1 Anti-Infective Compounds FNTB, LSS, PGLS GAA 540/4885CA12 4658/4885CA2 4760/4885

“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.