SCHEMBL4987929

SCHEMBL4987929

CC(Cc1c(Cl)c(Cl)cc(Cl)c1Cl)CC(CN)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.35
CPB2 Q96IY4 5/20 0.35
MME P08473 3/20 0.33
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CHRM1 P11229 2/20 0.32
TBXA2R P21731 2/20 0.32
PDE4A P27815 2/20 0.32
ADRA1A P35348 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
EGFR P00533 1/20 0.32
ESR1 P03372 1/20 0.32
ERBB2 P04626 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
PGR P06401 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL4994627 0.92 MME (0.34) HIF1ACPB2MMELMNACYP1A2
SCHEMBL4991473 0.88 CPB2 (0.33) CPB2MMEADRA1APGRHTR2B
SCHEMBL4990531 0.87 MME (0.34) CPB2MMELMNASMN1; SMN2KDM4E
SCHEMBL4986623 0.85 MME (0.35) CPB2MMEGRIK1GRIK2SLC1A3
SCHEMBL4984052 0.83 HIF1A (0.35) HIF1ALMNACYP1A2CHRM1TBXA2R
SCHEMBL4984866 0.83 CPB2 (0.35) HIF1ACPB2MMELMNACYP1A2
SCHEMBL4989812 0.83 CPB2 (0.33) CPB2MMEKDM4E
SCHEMBL4992930 0.82 AKR1B1 (0.41) HIF1ALMNACYP1A2ADRA1AMEN1
SCHEMBL4993047 0.82 SLC6A2 (0.36) CPB2MMECYP1A2MEN1HPGD
SCHEMBL4991521 0.79 ATM (0.35) HIF1ACPB2MMELMNACYP1A2

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 6 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
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

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 HIF1A 622/4885CPB2 1747/4885MME 2393/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A HIF1A 702/4885CPB2 1342/4885MME 2286/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A HIF1A 714/4885CPB2 1460/4885MME 2084/4885

“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.