SCHEMBL57867

SCHEMBL57867

O=C(Cc1cccc(COP(=O)(O)CCC(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.47
KYNU Q16719 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CETP P11597 3/20 0.42
CTSK P43235 3/20 0.42
TACR1 P25103 1/20 0.42
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
ELANE P08246 1/20 0.41
CTSB P07858 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
SCHEMBL56934 0.93 CASP1 (0.53) CASP1KYNUALDH1A1MAPK1L3MBTL1
SCHEMBL56886 0.90 CASP1 (0.49) CASP1KYNUCETPCTSKTACR1
SCHEMBL56465 0.83 PPARA (0.52) KYNUCETPCTSKTACR1CTSL
SCHEMBL57134 0.83 POLB (0.48) CASP1KYNUALDH1A1CETPCTSK
SCHEMBL57804 0.83 KYNU (0.48) CASP1KYNUALDH1A1CTSKTACR1
SCHEMBL57114 0.82 ATM (0.55) KYNUALDH1A1CTSKCTSLCTSS
SCHEMBL21174053 0.82 KYNU (0.58) KYNUALDH1A1CTSKTACR1CTSL
SCHEMBL21189192 0.82 KYNU (0.58) KYNUALDH1A1CTSKTACR1CTSL
SCHEMBL21189177 0.81 KYNU (0.46) CASP1KYNUALDH1A1CTSKCTSL
SCHEMBL21189146 0.81 KYNU (0.46) CASP1KYNUALDH1A1CTSKCTSL

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 CASP1 3533/4885KYNU 2527/4885ALDH1A1 1716/4885

“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.