SCHEMBL57114

SCHEMBL57114

COc1ccc(COP(=O)(O)CCC(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
F2 P00734 1/20 0.53
HDAC8 Q9BY41 1/20 0.51
CTSK P43235 3/20 0.50
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
KYNU Q16719 1/20 0.49
ALDH1A1 P00352 3/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
TPSAB1 Q15661 1/20 0.49
ELANE P08246 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PLAU P00749 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
ALOX15 P16050 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
SCHEMBL56465 0.88 PPARA (0.52) CTSKCTSLCTSSKYNUELANE
SCHEMBL57134 0.88 POLB (0.48) CTSKCTSLCTSSKYNUALDH1A1
SCHEMBL56934 0.87 CASP1 (0.53) CTSKCTSLCTSSKYNUALDH1A1
SCHEMBL21189192 0.87 KYNU (0.58) CTSKCTSLCTSSKYNUALDH1A1
SCHEMBL21174053 0.87 KYNU (0.58) CTSKCTSLCTSSKYNUALDH1A1
SCHEMBL57804 0.85 KYNU (0.48) CTSKCTSLCTSSKYNUALDH1A1
SCHEMBL56613 0.85 CTSS (0.49) CTSKCTSLCTSSKYNU
SCHEMBL57116 0.84 ATM (0.51) ATMF2HDAC8CTSKCTSL
SCHEMBL57867 0.82 CASP1 (0.47) CTSKCTSLCTSSKYNUALDH1A1
SCHEMBL9789226 0.82 ATM (0.64) ATMF2HDAC8CTSKCTSL

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 ATM 1420/4885F2 354/4885HDAC8 4529/4885

“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.