SCHEMBL4084753

SCHEMBL4084753

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.48
GRM4 Q14833 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PPARG P37231 1/20 0.44
TACR1 P25103 1/20 0.44
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
CTSK P43235 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
CYP3A4 P08684 3/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
RAB9A P51151 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
SCHEMBL4095417 0.90 KYNU (0.51) KYNUALDH1A1CYP3A4MAPTTSHR
SCHEMBL8116323 0.89 KYNU (0.56) KYNUPPARGTACR1ALDH1A1ALOX15
SCHEMBL10000466 0.85 GRM8 (0.56) KYNUGRM4PPARGRAB9A
SCHEMBL4091556 0.84 KYNU (0.51) KYNUFNTAFNTBPPARGTACR1
SCHEMBL4096826 0.82 KYNU (0.51) KYNUTACR1ALDH1A1ALOX15CTSK
SCHEMBL13774905 0.81 GRM8 (0.52) KYNUGRM4ALDH1A1ALOX15
SCHEMBL13774899 0.81 KYNU (0.53) KYNUGRM4FNTAFNTBTACR1
SCHEMBL13774895 0.80 GRM4 (0.53) KYNUGRM4ALDH1A1ALOX15SIRT2
SCHEMBL4097233 0.80 GRM8 (0.52) KYNUGRM4TACR1ALDH1A1ALOX15
SCHEMBL8238396 0.80 GRM8 (0.56) KYNUGRM4

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 2750/4885GRM4 1497/4885FNTA 4259/4885

“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.