SCHEMBL5378226

SCHEMBL5378226

COc1cccc(C(CN)C(=O)O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KLKB1 P03952 1/20 0.47
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL3385979 0.87 POLB (0.51) KDM4ELMNAPOLBHTTNPSR1
Hydrochloric Acid SCHEMBL21632067 0.86 POLB (0.50) KDM4ELMNAPOLBHTTNPSR1
SCHEMBL7145781 0.79 ADRA2A (0.56) CYP2D6CYP2C19KLKB1KDM4EMAPT
SCHEMBL2461230 0.78 KDM4E (0.50) CYP2D6CYP2C19KDM4EMAPTHPGD
SCHEMBL2461228 0.78 KDM4E (0.50) CYP2D6CYP2C19KDM4EMAPTHPGD
SCHEMBL21632310 0.76 PTGFR (0.45) KDM4ELMNAMAPK1POLBHTT
SCHEMBL5368219 0.76 ADRA1A (0.65) CYP2D6CYP2C19HSD17B10LMNAMAPK1
SCHEMBL14408244 0.76 CYP2D6 (0.48) CYP2D6CYP2C19KLKB1KDM4EMAPT
SCHEMBL28022832 0.76 POLB (0.49) KDM4EALDH1A1LMNAPOLBHTT
SCHEMBL27885698 0.75 POLB (0.49) KDM4EHPGDLMNAPOLBHTT

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 8 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
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
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 CYP2D6 962/4885CYP2C19 1925/4885KLKB1 2099/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 CYP2D6 682/4885CYP2C19 1456/4885KLKB1 2545/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 CYP2D6 962/4885CYP2C19 1925/4885KLKB1 2099/4885

“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.