SCHEMBL57020

SCHEMBL57020

CCCCOP(=O)(CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRTN3 P24158 2/20 0.53
CTSL P07711 1/20 0.52
CTSS P25774 1/20 0.52
ELANE P08246 2/20 0.50
SIRT2 Q8IXJ6 8/20 0.48
SIRT1 Q96EB6 5/20 0.48
SIRT3 Q9NTG7 4/20 0.48
KLK1 P06870 2/20 0.46
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46
KLK8 O60259 1/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
KLK4 Q9Y5K2 1/20 0.46
TP53 P04637 1/20 0.45

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 0.83 ATM (0.51) PRTN3CTSLCTSSELANEKLK1
SCHEMBL56409 0.82 KYNU (0.50) PRTN3CTSLCTSSELANEKLK1
SCHEMBL56467 0.81 TP53 (0.55) PRTN3CTSLCTSSELANEKLK1
SCHEMBL9123479 0.81 SIRT2 (0.55) PRTN3CTSLCTSSSIRT2SIRT1
SCHEMBL57136 0.80 KYNU (0.48) PRTN3CTSLCTSSELANESIRT2
SCHEMBL21174074 0.80 KYNU (0.59) PRTN3CTSLCTSSELANESIRT2
SCHEMBL21174075 0.80 KYNU (0.59) PRTN3CTSLCTSSELANESIRT2
SCHEMBL21174135 0.80 KYNU (0.59) PRTN3CTSLCTSSELANESIRT2
SCHEMBL56936 0.80 CASP1 (0.48) PRTN3CTSLCTSSELANEKLK1
SCHEMBL56615 0.79 CTSS (0.48) PRTN3CTSLCTSSELANE

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 PRTN3 2011/4885CTSL 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.