SCHEMBL56886

SCHEMBL56886

O=C(CCc1cccc(COP(=O)(O)CCC(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.49
KYNU Q16719 1/20 0.43
CETP P11597 3/20 0.41
CTSK P43235 4/20 0.41
TACR1 P25103 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CTSL P07711 3/20 0.40
CTSS P25774 2/20 0.40
CA1 P00915 1/20 0.40
ELANE P08246 1/20 0.40
CTSB P07858 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
SCHEMBL57867 0.90 CASP1 (0.47) CASP1KYNUCETPCTSKTACR1
SCHEMBL56934 0.85 CASP1 (0.53) CASP1KYNUCETPCTSKTACR1
SCHEMBL56465 0.82 PPARA (0.52) KYNUCETPCTSKTACR1CTSL
SCHEMBL57134 0.82 POLB (0.48) CASP1KYNUCETPCTSKTACR1
SCHEMBL56888 0.81 CASP1 (0.47) CASP1KYNUCTSKSMN1; SMN2CTSL
SCHEMBL57804 0.81 KYNU (0.48) CASP1KYNUCTSKTACR1CTSL
SCHEMBL57114 0.81 ATM (0.55) KYNUCTSKCTSLCTSSCA1
SCHEMBL21189192 0.80 KYNU (0.58) KYNUCTSKTACR1CTSLCTSS
SCHEMBL21174053 0.80 KYNU (0.58) KYNUCTSKTACR1CTSLCTSS
SCHEMBL56613 0.79 CTSS (0.49) KYNUCTSKTACR1CTSLCTSS

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 2527/4885CETP 1528/4885

“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.