SCHEMBL5364020

SCHEMBL5364020

COC(=O)CC(NC(C)=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
EEF2K O00418 2/20 0.43
UTS2R Q9UKP6 5/20 0.43
RORC P51449 1/20 0.42
CNR2 P34972 1/20 0.41
PDE2A O00408 1/20 0.40
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40

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
SCHEMBL24036553 0.85 THRB (0.47) THRBMEN1KMT2APOLBEEF2K
SCHEMBL7994713 0.84 MEN1 (0.58) MEN1KMT2APOLBEEF2KUTS2R
SCHEMBL7733495 0.82 GPR139 (0.49) EEF2KUTS2RCNR2PDE2A
SCHEMBL6671512 0.82 THRB (0.49) THRBMEN1KMT2APOLBEEF2K
SCHEMBL5700869 0.81 KMT2A (0.44) MEN1KMT2APOLB
SCHEMBL5700864 0.81 KMT2A (0.44) MEN1KMT2APOLB
SCHEMBL12184910 0.81 UTS2R (0.45) EEF2KUTS2RCNR2PDE2A
SCHEMBL16348950 0.80 KMT2A (0.55) MEN1KMT2APOLB
SCHEMBL1144523 0.80 KMT2A (0.55) MEN1KMT2APOLB
SCHEMBL1460374 0.80 KMT2A (0.55) MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US disclosed
US-6930112-B2 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-08-16 US disclosed
EP-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US disclosed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 WO disclosed
US-20020025949-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2002-02-28 US disclosed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US disclosed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP disclosed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 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 (3 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-20030229144-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 THRB 3569/4885MEN1 813/4885KMT2A 1605/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 THRB 3383/4885MEN1 1169/4885KMT2A 1066/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 THRB 3569/4885MEN1 813/4885KMT2A 1605/4885

“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.