SCHEMBL4091556

SCHEMBL4091556

COC(=O)c1cccc(CP(=O)(O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.51
FNTA P49354 2/20 0.49
FNTB P49356 2/20 0.49
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
TACR1 P25103 1/20 0.46
CTSK P43235 3/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CASP1 P29466 1/20 0.42
POLB P06746 1/20 0.42
FOLH1 Q04609 1/20 0.42
SLC7A5 Q01650 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 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
SCHEMBL345272 0.85 GRM8 (0.58) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL345271 0.85 GRM8 (0.58) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL4084753 0.84 KYNU (0.48) KYNUFNTAFNTBALDH1A1ALOX15
SCHEMBL3354986 0.81 KYNU (0.63) KYNUALDH1A1ALOX15TACR1CTSK
SCHEMBL371150 0.80 GRM4 (0.56) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL16460413 0.80 KYNU (0.50) KYNUALDH1A1ALOX15CTSKCASP1
SCHEMBL4095417 0.78 KYNU (0.51) KYNUALDH1A1CA1CA2CASP1
SCHEMBL4261002 0.78 KYNU (0.53) KYNUALDH1A1ALOX15TACR1CTSK
SCHEMBL4092001 0.78 KYNU (0.54) KYNUALDH1A1ALOX15TACR1CTSK
SCHEMBL13774882 0.78 KYNU (0.54) KYNUALDH1A1ALOX15TACR1CTSK

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 2750/4885FNTA 4259/4885FNTB 3587/4885

“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.