SCHEMBL4095417

SCHEMBL4095417

COC(=O)c1ccc(C(O)P(=O)(O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.51
CYP3A4 P08684 16/20 0.49
ALDH1A1 P00352 9/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 8/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL8116323 0.92 KYNU (0.56) KYNUCYP3A4ALDH1A1MAPTTSHR
SCHEMBL4084753 0.90 KYNU (0.48) KYNUCYP3A4ALDH1A1MAPTTSHR
SCHEMBL4097233 0.87 GRM8 (0.52) KYNUALDH1A1TSHRCA1CA2
SCHEMBL13774895 0.87 GRM4 (0.53) KYNUCYP3A4ALDH1A1MAPTTSHR
SCHEMBL13774896 0.86 GRM8 (0.53) KYNUALDH1A1MAPTTSHR
SCHEMBL16460533 0.86 GRM8 (0.54) KYNUALDH1A1MAPTTSHRLMNA
SCHEMBL13774966 0.86 GRM8 (0.53) KYNUALDH1A1MAPTTSHR
SCHEMBL16460728 0.85 KYNU (0.48) KYNUALDH1A1TSHRTP53
SCHEMBL16460736 0.85 KYNU (0.48) KYNUALDH1A1TSHRTP53
SCHEMBL4096826 0.84 KYNU (0.51) KYNUALDH1A1CA1CA2

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 3 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

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 2750/4885CYP3A4 3369/4885ALDH1A1 2089/4885

“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.