SCHEMBL57805

SCHEMBL57805

COP(=O)(CCC(C(=O)OCc1ccccc1)N(C=O)OCc1ccccc1)OCl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A1 P43005 1/20 0.34
CTSB P07858 2/20 0.33
ELANE P08246 3/20 0.32
PRTN3 P24158 1/20 0.32
KCNA5 P22460 1/20 0.32
FOLH1 Q04609 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL4752515 0.94 ALDH1A1 (0.38) ALDH1A1HCAR2SLC1A3SLC1A1CTSB
SCHEMBL56833 0.91 TDP1 (0.41) ALDH1A1CTSL
SCHEMBL56466 0.86 TP53 (0.41) ELANEPRTN3
SCHEMBL57115 0.86 ATM (0.39) ALDH1A1ELANEPRTN3
SCHEMBL56408 0.85 BTN3A1 (0.37) KYNUELANEPRTN3
SCHEMBL57135 0.84 MAPT (0.41) ALDH1A1ELANEPRTN3
SCHEMBL56433 0.83 ALDH1A1 (0.37) ALDH1A1HCAR2CTSBFOLH1
SCHEMBL56935 0.83 ALDH1A1 (0.41) ALDH1A1ELANEPRTN3
SCHEMBL56614 0.82 MAOB (0.37) ELANEPRTN3CTSLCTSS
SCHEMBL56920 0.82 MMP2 (0.37) ELANEPRTN3

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 2527/4885ALDH1A1 1716/4885HCAR2 1260/4885

“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.