SCHEMBL56888

SCHEMBL56888

COP(=O)(CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Oc1cccc(CCC(=O)OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.47
KYNU Q16719 1/20 0.45
ELANE P08246 2/20 0.44
PRTN3 P24158 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
KLK1 P06870 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CTSK P43235 2/20 0.40
CA1 P00915 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL21189177 0.91 KYNU (0.46) CASP1KYNUELANEPRTN3KLK1
SCHEMBL57869 0.91 KYNU (0.46) CASP1KYNUELANEPRTN3KLK1
SCHEMBL21189146 0.91 KYNU (0.46) CASP1KYNUELANEPRTN3KLK1
SCHEMBL56936 0.83 CASP1 (0.48) CASP1KYNUELANEPRTN3KLK1
SCHEMBL56584 0.83 HDAC1 (0.52) KYNUELANEPRTN3CTSL
SCHEMBL57116 0.83 ATM (0.51) KYNUELANEPRTN3KLK1CTSK
SCHEMBL21174075 0.82 KYNU (0.59) KYNUELANEPRTN3SIRT2SIRT1
SCHEMBL21174135 0.82 KYNU (0.59) KYNUELANEPRTN3SIRT2SIRT1
SCHEMBL21174074 0.82 KYNU (0.59) KYNUELANEPRTN3SIRT2SIRT1
SCHEMBL56409 0.82 KYNU (0.50) KYNUELANEPRTN3KLK1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.