SCHEMBL4933136

SCHEMBL4933136

CC(C(=O)O)c1nc2cncnc2s1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
BCL2 P10415 1/20 0.30
MCL1 Q07820 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL12210435 0.80 EGFR (0.31)
SCHEMBL4929686 0.76 PDK1 (0.45) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL1980665 0.74 PPARA (0.41) ALDH1A1HPGDCYP1A2TSHRSMN1; SMN2
SCHEMBL8877608 0.72 HCAR2 (0.36) ALDH1A1HPGD
SCHEMBL20505867 0.68 DYRK1A (0.34) TSHRCLK4
SCHEMBL17416989 0.68 MKNK1 (0.41) ALDH1A1HPGDCYP1A2CYP3A4TSHR
SCHEMBL3235816 0.68 EGFR (0.33)
SCHEMBL2247852 0.68 ALDH1A1 (0.39) ALDH1A1HPGDCYP1A2CYP3A4MEN1
SCHEMBL3963337 0.67 HPGD (0.60) ALDH1A1HPGDCYP1A2TSHRMEN1
SCHEMBL16116375 0.65 CTSA (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 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 (1 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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 ALDH1A1 1778/4885HPGD 3574/4885CYP1A2 2460/4885

“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.