SCHEMBL4092943

SCHEMBL4092943

COC(=O)CCCP(=O)(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 2/20 0.47
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CTSK P43235 2/20 0.44
TACR1 P25103 1/20 0.44
ELANE P08246 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
SCHEMBL13774882 1.00 KYNU (0.54) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL4090254 0.86 KYNU (0.53) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL27462111 0.84 SIRT2 (0.67) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL3354986 0.84 KYNU (0.63) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL11053442 0.84 KYNU (0.59) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL7087075 0.84 KYNU (0.59) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL4085008 0.83 KYNU (0.55) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL4092001 0.83 KYNU (0.54) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL4094780 0.82 KYNU (0.53) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL8123840 0.81 KYNU (0.59) KYNUSIRT2SIRT1SIRT3ALDH1A1

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
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
WO-2007052169-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-10 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-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications P4HA1, CYP2R1, EGLN3 KYNU 2750/4885SIRT2 3232/4885SIRT1 2851/4885

“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.