SCHEMBL56833

SCHEMBL56833

COP(=O)(CCC(C(=O)OCc1ccccc1)N(C=O)OCc1ccc([N+](=O)[O-])cc1)OCl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.38
CTSL P07711 4/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL57805 0.91 KYNU (0.35) ALDH1A1CTSL
SCHEMBL56758 0.91 ALDH1A1 (0.39) TDP1ALDH1A1MAPTATMCTSL
SCHEMBL56739 0.90 GAA (0.38) TDP1ALDH1A1MAPTATMCTSL
SCHEMBL56269 0.87 TDP1 (0.40) TDP1ALDH1A1MAPTATMCTSL
SCHEMBL4752515 0.85 ALDH1A1 (0.38) TDP1ALDH1A1KMT2A
SCHEMBL56583 0.84 RAB9A (0.41) MAPTATMRAB9AMEN1KMT2A
SCHEMBL56466 0.79 TP53 (0.41) MAPTMEN1KMT2A
SCHEMBL57115 0.78 ATM (0.39) ALDH1A1ATMRAB9AMEN1KMT2A
SCHEMBL56408 0.78 BTN3A1 (0.37) MAPTMEN1KMT2AGAA
SCHEMBL56935 0.77 ALDH1A1 (0.41) ALDH1A1MAPT

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 TDP1 1759/4885ALDH1A1 1716/4885MAPT 4437/4885

“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.