SCHEMBL56584

SCHEMBL56584

COP(=O)(CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
RAB9A P51151 1/20 0.46
KYNU Q16719 1/20 0.44
ELANE P08246 2/20 0.43
PRTN3 P24158 2/20 0.43
CTSL P07711 3/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43

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 0.90 HDAC1 (0.50) HDAC1HDAC2KYNUELANEPRTN3
SCHEMBL346781 0.86 HDAC1 (0.47) HDAC1HDAC2RAB9AKYNUELANE
SCHEMBL56268 0.85 HDAC1 (0.54) HDAC1HDAC2ELANEPRTN3CTSL
SCHEMBL21189177 0.85 KYNU (0.46) KYNUELANEPRTN3CTSL
SCHEMBL57869 0.85 KYNU (0.46) KYNUELANEPRTN3CTSL
SCHEMBL21189146 0.85 KYNU (0.46) KYNUELANEPRTN3CTSL
SCHEMBL56888 0.83 CASP1 (0.47) KYNUELANEPRTN3CTSL
SCHEMBL57116 0.82 ATM (0.51) KYNUELANEPRTN3CTSL
SCHEMBL21174135 0.82 KYNU (0.59) KYNUELANEPRTN3CTSL
SCHEMBL21174074 0.82 KYNU (0.59) KYNUELANEPRTN3CTSL

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 3661/4885RAB9A 3652/4885

“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.