SCHEMBL56407

SCHEMBL56407

Cc1ccc(OP(=O)(O)CCC(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.44
KYNU Q16719 1/20 0.44
ELANE P08246 1/20 0.43
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
POLB P06746 1/20 0.42
PRTN3 P24158 1/20 0.42
CTSK P43235 5/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TACR1 P25103 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL56919 0.89 CTSL (0.43) KYNUELANECTSKTACR1CTSL
SCHEMBL56738 0.87 HDAC1 (0.46) MAPTCTSL
SCHEMBL56757 0.82 HDAC1 (0.51) CTSL
SCHEMBL21189192 0.81 KYNU (0.58) KYNUELANEPRTN3CTSKTACR1
SCHEMBL21174053 0.81 KYNU (0.58) KYNUELANEPRTN3CTSKTACR1
SCHEMBL57018 0.79 CTSL (0.48) KYNUELANEPRTN3CTSKCTSL
SCHEMBL56582 0.79 ALDH1A1 (0.43) KYNUELANEPOLBCTSL
SCHEMBL21174062 0.78 TACR1 (0.53) KYNUELANECTSKTACR1CTSL
SCHEMBL21174049 0.78 TACR1 (0.53) KYNUELANECTSKTACR1CTSL
SCHEMBL56432 0.78 TACR1 (0.53) KYNUELANECTSKTACR1CTSL

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 OPRK1 4159/4885KYNU 2527/4885ELANE 2769/4885

“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.