SCHEMBL4990039

SCHEMBL4990039

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.47
AKR1C3 P42330 4/20 0.42
AKR1C2 P52895 4/20 0.42
APP P05067 4/20 0.40
PTGS2 P35354 4/20 0.40
PTGS1 P23219 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
PDPK1 O15530 1/20 0.40
FABP2 P12104 1/20 0.40
TSHR P16473 1/20 0.40
AKR1C4 P17516 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
SCHEMBL4988163 0.86 AKR1C3 (0.44) MMEAKR1C3AKR1C2APPPTGS2
SCHEMBL4992839 0.84 MME (0.44) MMECYP2C9CYP2C19DPP4DPP9
SCHEMBL4991536 0.82 SLC6A2 (0.42) MEN1KMT2ADPP4DPP7CES2
SCHEMBL4992533 0.82 TDP1 (0.39) AKR1C3AKR1C2MEN1KMT2ACYP2C19
SCHEMBL4986491 0.82 TDP1 (0.51) PTGS2PTGS1MEN1KMT2ATSHR
SCHEMBL4992150 0.81 DPP4 (0.35) AKR1C3AKR1C2PTGS2PTGS1MEN1
SCHEMBL4991426 0.81 GABBR2 (0.46) MEN1KMT2ACYP2C9CYP2C19TSHR
SCHEMBL4995415 0.81 AKR1C3 (0.44) MMEAKR1C3AKR1C2APPPTGS2
SCHEMBL4983818 0.81 AKR1C3 (0.43) AKR1C3AKR1C2APPPSEN1PSEN2
SCHEMBL4987043 0.80 AKR1C3 (0.41) AKR1C3AKR1C2AKR1C4AKR1C1

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 MME 2393/4885AKR1C3 4710/4885AKR1C2 4233/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MME 2286/4885AKR1C3 4658/4885AKR1C2 4077/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MME 2084/4885AKR1C3 4657/4885AKR1C2 4126/4885

“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.