SCHEMBL56921

SCHEMBL56921

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.47
CTSL P07711 3/20 0.47
CTSK P43235 2/20 0.47
PLAU P00749 6/20 0.46
ELANE P08246 2/20 0.46
PRTN3 P24158 2/20 0.46
TGM2 P21980 1/20 0.45
P2RX7 Q99572 1/20 0.44
MGLL Q99685 1/20 0.44
CTSS P25774 2/20 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 0.89 ATM (0.51) KYNUCTSLCTSKPLAUELANE
SCHEMBL56409 0.88 KYNU (0.50) KYNUCTSLCTSKPLAUELANE
SCHEMBL56467 0.87 TP53 (0.55) KYNUCTSLCTSKELANEPRTN3
SCHEMBL57136 0.87 KYNU (0.48) KYNUCTSLCTSKPLAUELANE
SCHEMBL56936 0.86 CASP1 (0.48) KYNUCTSLCTSKPLAUELANE
SCHEMBL56615 0.85 CTSS (0.48) KYNUCTSLCTSKELANEPRTN3
SCHEMBL21174074 0.85 KYNU (0.59) KYNUCTSLCTSKELANEPRTN3
SCHEMBL21174135 0.85 KYNU (0.59) KYNUCTSLCTSKELANEPRTN3
SCHEMBL21174075 0.85 KYNU (0.59) KYNUCTSLCTSKELANEPRTN3
SCHEMBL56740 0.84 HDAC1 (0.50) KYNUCTSLELANEPRTN3TGM2

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 2527/4885CTSL 3139/4885CTSK 3617/4885

“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.