SCHEMBL4989392

SCHEMBL4989392

CC(CC(CN)C(=O)O)C(C)c1c(O)ccc(O)c1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
BLM P54132 4/20 0.33
PMP22 Q01453 3/20 0.33
POLB P06746 3/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 2/20 0.33
MAPK1 P28482 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 2/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
ADRB2 P07550 3/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
ADRB1 P08588 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL4994363 0.87 ANPEP (0.34) KDM4EBLMPMP22POLBMAPT
SCHEMBL4993953 0.85 PTGES (0.36) KDM4EBLMPMP22POLBMAPT
SCHEMBL4985296 0.84 ADRB2 (0.36) KDM4EBLMPMP22POLBMAPT
SCHEMBL27643980 0.82 SLC7A5 (0.43) KDM4EBLMPMP22POLBMAPT
SCHEMBL4995005 0.81 PTGES (0.35) KDM4EBLMPMP22POLBMAPT
SCHEMBL4989616 0.80 BCHE (0.35) KDM4EBLMPOLBTDP1LMNA
SCHEMBL4988079 0.79 GAA (0.35) KDM4EBLMPMP22POLBMAPT
SCHEMBL4986491 0.78 TDP1 (0.51) KDM4EBLMPMP22POLBMAPT
SCHEMBL4991432 0.78 SCN4A (0.34) TSHRL3MBTL1ANPEPRNPEPDNPEP
SCHEMBL4984135 0.77 MEN1 (0.37) KDM4EBLMPMP22POLBMAPT

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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 KDM4E 3870/4885BLM 4852/4885PMP22 867/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A KDM4E 3684/4885BLM 4851/4885PMP22 794/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A KDM4E 3950/4885BLM 4848/4885PMP22 877/4885

“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.