SCHEMBL57116

SCHEMBL57116

COc1ccc(OP(=O)(CCC(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
CTSL P07711 3/20 0.51
CTSS P25774 3/20 0.51
CTSK P43235 3/20 0.51
KYNU Q16719 1/20 0.51
ELANE P08246 2/20 0.50
PRTN3 P24158 2/20 0.50
PLAU P00749 1/20 0.49
F2 P00734 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TPSAB1 Q15661 1/20 0.46
KLK1 P06870 1/20 0.46
CTSB P07858 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL56409 0.93 KYNU (0.50) CTSLCTSSCTSKKYNUELANE
SCHEMBL56467 0.92 TP53 (0.55) CTSLCTSSCTSKKYNUELANE
SCHEMBL57136 0.91 KYNU (0.48) CTSLCTSSCTSKKYNUELANE
SCHEMBL56936 0.90 CASP1 (0.48) ATMCTSLCTSSCTSKKYNU
SCHEMBL56921 0.89 KYNU (0.47) CTSLCTSSCTSKKYNUELANE
SCHEMBL56615 0.89 CTSS (0.48) CTSLCTSSCTSKKYNUELANE
SCHEMBL21174075 0.89 KYNU (0.59) CTSLCTSSCTSKKYNUELANE
SCHEMBL21174135 0.89 KYNU (0.59) CTSLCTSSCTSKKYNUELANE
SCHEMBL21174074 0.89 KYNU (0.59) CTSLCTSSCTSKKYNUELANE
SCHEMBL56740 0.88 HDAC1 (0.50) CTSLKYNUELANEPRTN3

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 ATM 1420/4885CTSL 3139/4885CTSS 4115/4885

“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.