SCHEMBL56465

SCHEMBL56465

O=C(NC(CCP(=O)(O)OCc1ccc(Cl)cc1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.52
TP53 P04637 1/20 0.51
CTSK P43235 4/20 0.48
KYNU Q16719 1/20 0.47
CETP P11597 3/20 0.45
TACR1 P25103 1/20 0.45
CCR1 P32246 1/20 0.44
ELANE P08246 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
PPARG P37231 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
SCHEMBL57134 0.89 POLB (0.48) PPARACTSKKYNUCETPTACR1
SCHEMBL57804 0.89 KYNU (0.48) TP53CTSKKYNUTACR1ELANE
SCHEMBL57114 0.88 ATM (0.55) CTSKKYNUELANECTSLCTSS
SCHEMBL56934 0.88 CASP1 (0.53) PPARACTSKKYNUCETPTACR1
SCHEMBL56613 0.86 CTSS (0.49) CTSKKYNUTACR1CTSLCTSB
SCHEMBL21174053 0.85 KYNU (0.58) CTSKKYNUTACR1ELANECTSL
SCHEMBL21189192 0.85 KYNU (0.58) CTSKKYNUTACR1ELANECTSL
SCHEMBL57867 0.83 CASP1 (0.47) CTSKKYNUCETPTACR1ELANE
SCHEMBL21174049 0.82 TACR1 (0.53) CTSKKYNUTACR1ELANECTSL
SCHEMBL56432 0.82 TACR1 (0.53) CTSKKYNUTACR1ELANECTSL

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 PPARA 769/4885TP53 1700/4885CTSK 3617/4885

“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.