SCHEMBL4097233

SCHEMBL4097233

COC(=O)[C@H](CCP(=O)(O)C(O)c1ccc(C(F)(F)F)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.52
GRM4 Q14833 1/20 0.52
KYNU Q16719 1/20 0.49
CTSL P07711 2/20 0.47
CTSK P43235 1/20 0.47
MGLL Q99685 1/20 0.46
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
ALOX15 P16050 1/20 0.43
TGM2 P21980 1/20 0.43
PLAU P00749 3/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
TACR1 P25103 1/20 0.42
CTSS P25774 1/20 0.41
CA1 P00915 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
SCHEMBL8116323 0.90 KYNU (0.56) KYNUCTSKALDH1A1TSHRALOX15
SCHEMBL4095417 0.87 KYNU (0.51) KYNUALDH1A1TSHRCA1CA2
SCHEMBL5071534 0.85 KYNU (0.49) KYNUCTSLCTSKALDH1A1ALOX15
SCHEMBL13774895 0.85 GRM4 (0.53) GRM4KYNUALDH1A1TSHRALOX15
SCHEMBL13774966 0.84 GRM8 (0.53) GRM8GRM4KYNUCTSLALDH1A1
SCHEMBL16460533 0.84 GRM8 (0.54) GRM8GRM4KYNUCTSKALDH1A1
SCHEMBL13774896 0.84 GRM8 (0.53) GRM8GRM4KYNUCTSLALDH1A1
SCHEMBL13774903 0.83 GRM8 (0.53) GRM8GRM4KYNUCTSLCTSK
SCHEMBL16460728 0.83 KYNU (0.48) GRM8GRM4KYNUCTSKALDH1A1
SCHEMBL16460736 0.83 KYNU (0.48) KYNUCTSLNOS3NOS1NOS2

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 GRM8 1667/4885GRM4 1497/4885KYNU 2750/4885

“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.