SCHEMBL57018

SCHEMBL57018

CCCCc1ccccc1OP(=O)(O)CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
PRTN3 P24158 1/20 0.45
MME P08473 1/20 0.45
ECE1 P42892 1/20 0.45
SIRT2 Q8IXJ6 8/20 0.44
SIRT1 Q96EB6 5/20 0.44
SIRT3 Q9NTG7 4/20 0.44
ELANE P08246 1/20 0.44
MMP3 P08254 1/20 0.43
CTSK P43235 1/20 0.43
CETP P11597 3/20 0.42
KYNU Q16719 1/20 0.42

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
SCHEMBL21174053 0.79 KYNU (0.58) CTSLCTSSPRTN3SIRT2SIRT1
SCHEMBL21189192 0.79 KYNU (0.58) CTSLCTSSPRTN3SIRT2SIRT1
SCHEMBL56407 0.79 OPRK1 (0.44) CTSLCTSSPRTN3ELANECTSK
SCHEMBL56757 0.77 HDAC1 (0.51) CTSL
SCHEMBL56582 0.77 ALDH1A1 (0.43) CTSLELANEKYNU
SCHEMBL21174049 0.77 TACR1 (0.53) CTSLCTSSMMEECE1ELANE
SCHEMBL21174062 0.77 TACR1 (0.53) CTSLCTSSMMEECE1ELANE
SCHEMBL56432 0.77 TACR1 (0.53) CTSLCTSSMMEECE1ELANE
SCHEMBL5205857 0.77 CTSL (0.48) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL57804 0.76 KYNU (0.48) CTSLCTSSMMEECE1ELANE

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 CTSL 3139/4885CTSS 4115/4885PRTN3 2011/4885

“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.