SCHEMBL4103446

SCHEMBL4103446

COC(=O)[C@H](CCO[PH](=O)C(O)c1ccccc1S(C)(=O)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.44
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CTSK P43235 3/20 0.39
CTSL P07711 3/20 0.39
CTSS P25774 3/20 0.39
CTSB P07858 2/20 0.39
ACHE P22303 1/20 0.39
CASP1 P29466 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TRPM8 Q7Z2W7 1/20 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
SCHEMBL4089300 0.80 GSTP1 (0.46) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL4084706 0.77 GSTP1 (0.45) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL4084944 0.77 ITGA4 (0.45) KYNUCTSLCTSB
SCHEMBL4084378 0.77 CTSL (0.48) KYNUALDH1A1ALOX15CTSLCTSB
SCHEMBL4100004 0.77 GSTP1 (0.48) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL2867580 0.77 KYNU (0.55) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL20556402 0.77 KYNU (0.55) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL4094926 0.76 CTSL (0.44) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL4095387 0.76 KYNU (0.43) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL4088783 0.76 GSTP1 (0.44) 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.