SCHEMBL5003316

SCHEMBL5003316

CC(NCC(O)COc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 3/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 2/20 0.42
CCR2 P41597 2/20 0.42
NPC1 O15118 1/20 0.41
CYP3A4 P08684 2/20 0.40
CCR4 P51679 1/20 0.40
CCR5 P51681 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4209781 0.77 L3MBTL1 (0.51) KMT2AMEN1CYP2C19CYP2D6CYP2C9
SCHEMBL5022877 0.75 KCNH2 (0.52) KMT2AMEN1CYP2C19CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4358412 0.73 KCNH2 (0.63) KMT2AMEN1CYP2C19CYP2D6CYP2C9
SCHEMBL7044138 0.72 ADRB3 (0.46) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL4216135 0.70 KCNH2 (0.71) KMT2AMEN1
SCHEMBL4206093 0.70 KCNH2 (0.71) KMT2AMEN1
SCHEMBL4196759 0.68 KMT2A (0.53) KMT2AMEN1CYP2C19CYP2D6CYP2C9
SCHEMBL8976291 0.67 CYP2D6 (0.64) KMT2AMEN1CYP2C19CYP2D6CYP2C9
SCHEMBL7042588 0.67 ADRB3 (0.50) KMT2AMEN1CYP2D6ADRB2ADRB1
SCHEMBL8752451 0.67 ALDH1A1 (0.63) KMT2AMEN1NPSR1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 EP claimed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 US claimed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 EP claimed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 WO claimed
US-7375136-B2 pH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2008-05-20 US disclosed
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 EP disclosed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 US disclosed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 EP disclosed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 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-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A KMT2A 338/4885MEN1 2158/4885CYP2C19 4269/4885

“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.