SCHEMBL56920

SCHEMBL56920

COP(=O)(CCC(C(=O)OCc1ccccc1)N(C=O)OCc1ccccc1)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PTPN1 P18031 2/20 0.35
BTN3A1 O00481 1/20 0.35
MAPK14 Q16539 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PLAU P00749 2/20 0.34
ELANE P08246 2/20 0.34
PTPRC P08575 1/20 0.34
PRTN3 P24158 1/20 0.34

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
SCHEMBL57115 0.90 ATM (0.39) BTN3A1PLAUELANEPRTN3TSHR
SCHEMBL56408 0.89 BTN3A1 (0.37) BTN3A1PLAUELANEPRTN3
SCHEMBL56466 0.88 TP53 (0.41) PPARGPPARABTN3A1ELANEPRTN3
SCHEMBL57135 0.88 MAPT (0.41) BTN3A1ELANEPRTN3TSHR
SCHEMBL56935 0.87 ALDH1A1 (0.41) PPARGPPARABTN3A1ELANEPRTN3
SCHEMBL56614 0.86 MAOB (0.37) BTN3A1ELANEPRTN3
SCHEMBL56739 0.85 GAA (0.38)
SCHEMBL56758 0.83 ALDH1A1 (0.39) BTN3A1
SCHEMBL57805 0.82 KYNU (0.35) ELANEPRTN3
SCHEMBL57868 0.82 L3MBTL1 (0.37) BTN3A1ELANEPRTN3

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 MMP2 4471/4885MMP9 4429/4885PSEN1 1432/4885

“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.