SCHEMBL56738

SCHEMBL56738

Cc1cc([N+](=O)[O-])ccc1OP(=O)(O)CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
CTSL P07711 9/20 0.44
CTSB P07858 3/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TGM2 P21980 1/20 0.40

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
SCHEMBL56757 0.92 HDAC1 (0.51) HDAC1HDAC2ITGA4ITGB7CTSL
SCHEMBL56407 0.87 OPRK1 (0.44) CTSLMAPT
SCHEMBL56919 0.84 CTSL (0.43) CTSLTGM2
SCHEMBL56582 0.83 ALDH1A1 (0.43) HDAC1HDAC2CTSLCTSBMEN1
SCHEMBL56832 0.81 HDAC1 (0.53) HDAC1HDAC2ITGA4ITGB7CTSL
SCHEMBL56268 0.78 HDAC1 (0.54) HDAC1HDAC2CTSLTGM2
SCHEMBL56740 0.78 HDAC1 (0.50) HDAC1HDAC2CTSLTGM2
SCHEMBL56584 0.77 HDAC1 (0.52) HDAC1HDAC2ITGA4ITGB7CTSL
SCHEMBL21189192 0.77 KYNU (0.58) CTSLCTSB
SCHEMBL21174053 0.77 KYNU (0.58) CTSLCTSB

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 HDAC1 3626/4885HDAC2 3661/4885ITGA4 4269/4885

“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.