SCHEMBL56919

SCHEMBL56919

Cc1cc(C(F)(F)F)ccc1OP(=O)(O)CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.43
CTSK P43235 1/20 0.43
MGLL Q99685 1/20 0.43
TACR1 P25103 4/20 0.42
TGM2 P21980 2/20 0.42
KYNU Q16719 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ELANE P08246 1/20 0.40
CTSS P25774 1/20 0.40
PLAU P00749 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
SCHEMBL56407 0.89 OPRK1 (0.44) CTSLCTSKTACR1KYNUELANE
SCHEMBL56738 0.84 HDAC1 (0.46) CTSLTGM2
SCHEMBL56757 0.79 HDAC1 (0.51) CTSLTGM2
SCHEMBL21189192 0.78 KYNU (0.58) CTSLCTSKTACR1KYNUELANE
SCHEMBL21174053 0.78 KYNU (0.58) CTSLCTSKTACR1KYNUELANE
SCHEMBL56921 0.78 KYNU (0.47) CTSLCTSKMGLLTGM2KYNU
SCHEMBL57018 0.76 CTSL (0.48) CTSLCTSKKYNUELANECTSS
SCHEMBL56582 0.76 ALDH1A1 (0.43) CTSLKYNUELANE
SCHEMBL57134 0.76 POLB (0.48) CTSLCTSKTACR1KYNUELANE
SCHEMBL21174049 0.75 TACR1 (0.53) CTSLCTSKTACR1KYNUELANE

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 CTSL 3139/4885CTSK 3617/4885MGLL 1778/4885

“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.