SCHEMBL56936

SCHEMBL56936

COP(=O)(CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Oc1ccc(CC(=O)OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.48
KYNU Q16719 1/20 0.48
ELANE P08246 2/20 0.47
PRTN3 P24158 2/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLK1 P06870 1/20 0.43
ATM Q13315 1/20 0.43
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 2/20 0.42
CTSB P07858 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL57869 0.91 KYNU (0.46) CASP1KYNUELANEPRTN3ALDH1A1
SCHEMBL21189146 0.91 KYNU (0.46) CASP1KYNUELANEPRTN3ALDH1A1
SCHEMBL21189177 0.91 KYNU (0.46) CASP1KYNUELANEPRTN3ALDH1A1
SCHEMBL57116 0.90 ATM (0.51) KYNUELANEPRTN3F2PLAU
SCHEMBL56409 0.89 KYNU (0.50) KYNUELANEPRTN3ALDH1A1PLAU
SCHEMBL56467 0.88 TP53 (0.55) KYNUELANEPRTN3ALDH1A1KLK1
SCHEMBL57136 0.87 KYNU (0.48) KYNUELANEPRTN3F2PLAU
SCHEMBL56615 0.86 CTSS (0.48) KYNUELANEPRTN3CTSLCTSS
SCHEMBL56921 0.86 KYNU (0.47) KYNUELANEPRTN3PLAUCTSL
SCHEMBL21174135 0.85 KYNU (0.59) KYNUELANEPRTN3ALDH1A1CTSL

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 CASP1 3533/4885KYNU 2527/4885ELANE 2769/4885

“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.