SCHEMBL4095387

SCHEMBL4095387

COC(=O)[C@H](CCO[PH](=O)C(O)c1ccc(C(F)(F)F)o1)NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.43
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
CTSL P07711 6/20 0.40
CTSS P25774 5/20 0.40
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GSTP1 P09211 1/20 0.38
GSTM2 P28161 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CTSK P43235 5/20 0.38
CTSB P07858 3/20 0.38

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
SCHEMBL4091635 0.83 GSTP1 (0.47) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL13774903 0.79 GRM8 (0.53) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL31405459 0.77 KYNU (0.55) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL4089580 0.77 GSTP1 (0.45) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL4103446 0.76 KYNU (0.44) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL4084378 0.76 CTSL (0.48) KYNUALDH1A1ALOX15CTSLGSTP1
SCHEMBL4100004 0.76 GSTP1 (0.48) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL4094926 0.75 CTSL (0.44) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL11127646 0.74 KYNU (0.56) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL2156000 0.74 KYNU (0.58) KYNUALDH1A1ALOX15SIRT2SIRT1

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 1 patent. 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

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 2750/4885ALDH1A1 2089/4885ALOX15 1960/4885

“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.