SCHEMBL610150

SCHEMBL610150

CC(NC(=O)O)C(O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.33
TAS1R3 Q7RTX0 5/20 0.32
TAS1R1 Q7RTX1 5/20 0.32
TAS1R2 Q8TE23 5/20 0.32
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 1/20 0.31
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1005905 1.00 POLB (0.35) POLBTP53TAS1R3TAS1R1TAS1R2
SCHEMBL16487141 0.79 TP53 (0.32) POLBTP53CYP2D6CYP2C19
SCHEMBL16487139 0.79 TP53 (0.32) POLBTP53CYP2D6CYP2C19
SCHEMBL17533124 0.76
SCHEMBL12295867 0.76
SCHEMBL4722759 0.76
SCHEMBL28719441 0.76 CYP2D6 (0.41) POLBTP53TAS1R3TAS1R1TAS1R2
SCHEMBL16164274 0.75 TP53 (0.36) TP53TAS1R3TAS1R1TAS1R2CYP2D6
SCHEMBL8222868 0.74 DPP4 (0.37) POLBTAS1R3TAS1R1TAS1R2CYP2D6
SCHEMBL14944967 0.74 CA1 (0.53) CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040918-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2012-02-16 US disclosed
US-20110178031-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2011-07-21 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 (2 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-20120040918-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 POLB 308/4885TP53 533/4885TAS1R3 916/4885
US-20110178031-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 POLB 308/4885TP53 533/4885TAS1R3 916/4885

“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.