SCHEMBL57115

SCHEMBL57115

COc1ccc(OP(=O)(CCC(C(=O)OCc2ccccc2)N(C=O)OCc2ccccc2)OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
BTN3A1 O00481 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
ELANE P08246 3/20 0.36
PRTN3 P24158 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
PLAU P00749 2/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL56408 0.93 BTN3A1 (0.37) BTN3A1ELANEPRTN3MEN1KMT2A
SCHEMBL56466 0.93 TP53 (0.41) BTN3A1ELANEPRTN3MEN1KMT2A
SCHEMBL57135 0.92 MAPT (0.41) ATMBTN3A1NPC1RAB9AALDH1A1
SCHEMBL56935 0.91 ALDH1A1 (0.41) BTN3A1ALDH1A1ELANEPRTN3
SCHEMBL56920 0.90 MMP2 (0.37) BTN3A1ELANEPRTN3PLAUTSHR
SCHEMBL56614 0.90 MAOB (0.37) BTN3A1ELANEPRTN3MEN1KMT2A
SCHEMBL56739 0.89 GAA (0.38) ATMNPC1RAB9AALDH1A1MEN1
SCHEMBL56758 0.87 ALDH1A1 (0.39) ATMBTN3A1NPC1RAB9AALDH1A1
SCHEMBL57805 0.86 KYNU (0.35) ALDH1A1ELANEPRTN3
SCHEMBL57868 0.86 L3MBTL1 (0.37) BTN3A1RAB9AALDH1A1ELANEPRTN3

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 1420/4885BTN3A1 4679/4885NPC1 3267/4885

“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.