SCHEMBL4985002

SCHEMBL4985002

CCC(CC(CN)C(=O)O)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.51
BLM P54132 8/20 0.51
KDM4E B2RXH2 8/20 0.51
MAPT P10636 6/20 0.51
LMNA P02545 4/20 0.51
MAPK1 P28482 4/20 0.51
HSD17B10 Q99714 4/20 0.51
PMP22 Q01453 3/20 0.51
RECQL P46063 3/20 0.51
TSHR P16473 3/20 0.51
NFKB1 P19838 3/20 0.51
HIF1A Q16665 3/20 0.51
POLB P06746 3/20 0.51
THPO P40225 2/20 0.51
ADRB2 P07550 4/20 0.50
ADRB1 P08588 2/20 0.50
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
ADRA1D P25100 2/20 0.50

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
SCHEMBL4990424 0.84 ESR1 (0.47) TDP1BLMKDM4EMAPTLMNA
SCHEMBL4992690 0.83 SMN1; SMN2 (0.42) TDP1BLMKDM4EMAPTLMNA
SCHEMBL4993623 0.82 TDP1 (0.54) TDP1BLMKDM4EMAPTLMNA
SCHEMBL27665762 0.82 TDP1 (0.50) TDP1BLMKDM4EMAPTLMNA
SCHEMBL4992029 0.82 KYNU (0.49) KDM4ELMNATSHRNFKB1HIF1A
SCHEMBL4995415 0.82 AKR1C3 (0.44) MAPTLMNATSHRHIF1AADRA2B
SCHEMBL4991620 0.82 AKR1C3 (0.45) BLMLMNATSHRNFKB1DRD3
SCHEMBL4986183 0.81 FOLH1 (0.37) TDP1BLMKDM4EMAPTLMNA
SCHEMBL4992187 0.81 GRIK1 (0.40) BLMLMNATSHRNFKB1POLB
SCHEMBL4986636 0.81 ACHE (0.51) BLMLMNAMAPK1PMP22TSHR

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 TDP1 3418/4885BLM 4852/4885KDM4E 3870/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TDP1 3780/4885BLM 4851/4885KDM4E 3684/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TDP1 3406/4885BLM 4848/4885KDM4E 3950/4885

“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.