SCHEMBL4426464

SCHEMBL4426464

CCOP(=O)(OCC)C(CCN(OCc1ccccc1)C(C)=O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CETP P11597 3/20 0.33
PPIB P23284 1/20 0.32
PPID Q08752 1/20 0.32
PPIG Q13427 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
SCHEMBL4423933 0.85 POLB (0.45) GAALMNAKDM4EALDH1A1POLB
SCHEMBL4434706 0.83 POLB (0.37) GAALMNAALDH1A1POLB
SCHEMBL4421084 0.82 POLB (0.40) GAAPOLBNPSR1
SCHEMBL4424406 0.81 MAPT (0.43) GAAPOLBTP53
SCHEMBL4426576 0.81 LMNA (0.41) GAALMNAKDM4EALDH1A1HTT
SCHEMBL4426539 0.80 MEN1 (0.44) ALDH1A1TSHR
SCHEMBL4434995 0.78 MAPT (0.44) LMNAPOLB
SCHEMBL27412073 0.74 POLB (0.41) POLBCYP2C9CYP2C19
SCHEMBL27411077 0.72 POLB (0.39) POLB
SCHEMBL16352172 0.72 CETP (0.45) CETP

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-7638505-B2 Organophosphoric derivatives useful as anti-parasitic agents UNIVERSITEIT GENT (BE) 2009-12-29 US disclosed
US-20080312190-A1 Such as 3-(N-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid; Antimalaria agents UNIVERSITEIT GENT (BE) 2008-12-18 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-20080312190-A1 Such as 3-(N-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid; Antimalaria agents SUB1, CBR1, NAT1 GAA 4403/4885LMNA 2648/4885KDM4E 3301/4885

“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.