SCHEMBL57804

SCHEMBL57804

O=C(NC(CCP(=O)(O)OCCl)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.48
TACR1 P25103 2/20 0.48
CTSK P43235 3/20 0.46
IDO1 P14902 1/20 0.45
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
ELANE P08246 1/20 0.45
CTSB P07858 1/20 0.45
CTRB1 P17538 2/20 0.44
CASP1 P29466 3/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
MME P08473 1/20 0.43
ECE1 P42892 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
SCHEMBL56832 0.90 HDAC1 (0.53) CTSL
SCHEMBL56465 0.89 PPARA (0.52) KYNUTACR1CTSKCTSLCTSS
SCHEMBL21189192 0.87 KYNU (0.58) KYNUTACR1CTSKCTSLCTSS
SCHEMBL21174053 0.87 KYNU (0.58) KYNUTACR1CTSKCTSLCTSS
SCHEMBL57134 0.86 POLB (0.48) KYNUTACR1CTSKCTSLCTSS
SCHEMBL21174049 0.86 TACR1 (0.53) KYNUTACR1CTSKIDO1CTSL
SCHEMBL21174062 0.86 TACR1 (0.53) KYNUTACR1CTSKIDO1CTSL
SCHEMBL56432 0.86 TACR1 (0.53) KYNUTACR1CTSKIDO1CTSL
SCHEMBL57114 0.85 ATM (0.55) KYNUCTSKCTSLCTSSELANE
SCHEMBL56934 0.85 CASP1 (0.53) KYNUTACR1CTSKCTSLCTSS

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 KYNU 2527/4885TACR1 3099/4885CTSK 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.