SCHEMBL4983544

SCHEMBL4983544

Cc1ccc(C(C)CC(CN)C(=O)O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
KIF11 P52732 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 1/20 0.37
AKR1C3 P42330 5/20 0.37
AKR1C2 P52895 5/20 0.37
POLB P06746 2/20 0.36
GCG P01275 1/20 0.35
TP53 P04637 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
KDM4E B2RXH2 2/20 0.34
BLM P54132 2/20 0.34
PMP22 Q01453 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
THPO P40225 1/20 0.34

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
SCHEMBL4992533 0.85 TDP1 (0.39) TDP1KIF11SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL4992264 0.83 ACHE (0.47) KIF11CYP2C19AKR1C3AKR1C2POLB
SCHEMBL4992690 0.82 SMN1; SMN2 (0.42) TDP1KIF11SMN1; SMN2AKR1C3AKR1C2
SCHEMBL4993623 0.82 TDP1 (0.54) TDP1SMN1; SMN2POLBTP53KDM4E
SCHEMBL4988163 0.81 AKR1C3 (0.44) CYP2C19AKR1C3AKR1C2LMNATSHR
SCHEMBL4987822 0.81 AKR1C3 (0.45) SMN1; SMN2ALDH1A1AKR1C3AKR1C2GRIK1
SCHEMBL4988045 0.81 ACP3 (0.41) KIF11SMN1; SMN2ALDH1A1CYP2C19AKR1C3
SCHEMBL4989650 0.80 PTGS2 (0.37) ALDH1A1CYP2C19AKR1C3AKR1C2GRIK1
SCHEMBL4987299 0.80 ESR1 (0.44) TDP1CYP2C19GRIK1GRIK2KDM4E
SCHEMBL4987801 0.78 ACHE (0.52) CYP2C19AKR1C3AKR1C2GRIK1GRIK2

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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 TDP1 3418/4885KIF11 4586/4885SMN1; SMN2 1368/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TDP1 3780/4885KIF11 4607/4885SMN1; SMN2 1347/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TDP1 3406/4885KIF11 4665/4885SMN1; SMN2 1393/4885

“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.