SCHEMBL56409

SCHEMBL56409

COP(=O)(CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Oc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.50
ELANE P08246 2/20 0.49
PRTN3 P24158 2/20 0.49
PLAU P00749 1/20 0.48
CTSK P43235 4/20 0.47
KLK1 P06870 1/20 0.45
CTSL P07711 4/20 0.44
CTSS P25774 3/20 0.44
CTSB P07858 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
TGM2 P21980 1/20 0.43

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
SCHEMBL57116 0.93 ATM (0.51) KYNUELANEPRTN3PLAUCTSK
SCHEMBL56467 0.91 TP53 (0.55) KYNUELANEPRTN3CTSKKLK1
SCHEMBL57136 0.90 KYNU (0.48) KYNUELANEPRTN3PLAUCTSK
SCHEMBL56936 0.89 CASP1 (0.48) KYNUELANEPRTN3PLAUCTSK
SCHEMBL56921 0.88 KYNU (0.47) KYNUELANEPRTN3PLAUCTSK
SCHEMBL56615 0.88 CTSS (0.48) KYNUELANEPRTN3CTSKCTSL
SCHEMBL21174135 0.88 KYNU (0.59) KYNUELANEPRTN3CTSKCTSL
SCHEMBL21174074 0.88 KYNU (0.59) KYNUELANEPRTN3CTSKCTSL
SCHEMBL21174075 0.88 KYNU (0.59) KYNUELANEPRTN3CTSKCTSL
SCHEMBL56740 0.88 HDAC1 (0.50) KYNUELANEPRTN3CTSLTGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008137446-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RESPIRATORY DISEASE TRUSTEES OF BOSTON UNIVERSITY (US) 2008-11-13 WO claimed
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US disclosed
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF HIRATAKE, GOU (JP) 2009-06-25 US disclosed
WO-2008137446-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RESPIRATORY DISEASE TRUSTEES OF BOSTON UNIVERSITY (US) 2008-11-13 WO 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-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 KYNU 2527/4885ELANE 2769/4885PRTN3 2011/4885

“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.