SCHEMBL56268

SCHEMBL56268

O=C(NC(CCP(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)OCc1ccccc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
TGM2 P21980 1/20 0.50
CTSL P07711 5/20 0.49
ELANE P08246 2/20 0.48
PRTN3 P24158 1/20 0.48
P2RX7 Q99572 1/20 0.47
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46

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
SCHEMBL56740 0.92 HDAC1 (0.50) HDAC1HDAC2TGM2CTSLELANE
SCHEMBL56584 0.85 HDAC1 (0.52) HDAC1HDAC2CTSLELANEPRTN3
SCHEMBL56832 0.83 HDAC1 (0.53) HDAC1HDAC2TGM2CTSLP2RX7
SCHEMBL56757 0.82 HDAC1 (0.51) HDAC1HDAC2TGM2CTSL
SCHEMBL8433892 0.81 CTSL (0.62) HDAC1HDAC2TGM2CTSLP2RX7
SCHEMBL8433969 0.81 CTSL (0.62) HDAC1HDAC2TGM2CTSLP2RX7
SCHEMBL8436808 0.81 CTSL (0.62) HDAC1HDAC2TGM2CTSLP2RX7
SCHEMBL8435352 0.81 HDAC1 (0.63) HDAC1HDAC2TGM2CTSL
SCHEMBL8435348 0.81 HDAC1 (0.63) HDAC1HDAC2TGM2CTSL
SCHEMBL9798018 0.80 HDAC1 (0.57) HDAC1HDAC2TGM2CTSLP2RX7

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 HDAC1 3626/4885HDAC2 3661/4885TGM2 572/4885

“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.