SCHEMBL56615

SCHEMBL56615

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.48
CTSL P07711 9/20 0.48
CTSB P07858 5/20 0.48
CTSK P43235 4/20 0.48
KYNU Q16719 1/20 0.47
ELANE P08246 2/20 0.46
PRTN3 P24158 2/20 0.46
TACR1 P25103 1/20 0.44
P2RX7 Q99572 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
SCHEMBL57116 0.89 ATM (0.51) CTSSCTSLCTSBCTSKKYNU
SCHEMBL56409 0.88 KYNU (0.50) CTSSCTSLCTSBCTSKKYNU
SCHEMBL56467 0.87 TP53 (0.55) CTSSCTSLCTSBCTSKKYNU
SCHEMBL57136 0.87 KYNU (0.48) CTSSCTSLCTSBCTSKKYNU
SCHEMBL56936 0.86 CASP1 (0.48) CTSSCTSLCTSBCTSKKYNU
SCHEMBL56921 0.85 KYNU (0.47) CTSSCTSLCTSKKYNUELANE
SCHEMBL21174075 0.85 KYNU (0.59) CTSSCTSLCTSBCTSKKYNU
SCHEMBL21174074 0.85 KYNU (0.59) CTSSCTSLCTSBCTSKKYNU
SCHEMBL21174135 0.85 KYNU (0.59) CTSSCTSLCTSBCTSKKYNU
SCHEMBL56740 0.84 HDAC1 (0.50) CTSLKYNUELANEPRTN3P2RX7

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 CTSS 4115/4885CTSL 3139/4885CTSB 3618/4885

“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.