SCHEMBL2763259

SCHEMBL2763259

CC(C)(CO[N+](=O)[O-])C(=O)Oc1ccccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 7/20 0.41
MAPT P10636 3/20 0.41
FBP1 P09467 1/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTGS2 P35354 2/20 0.38
SRC P12931 2/20 0.37
ELANE P08246 2/20 0.36
PRTN3 P24158 1/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
NPC1 O15118 1/20 0.35
S1PR4 O95977 1/20 0.35

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
SCHEMBL2763508 0.82 KDM4E (0.48) ALDH1A1MAPTHTTHPGDPTGS2
SCHEMBL7359241 0.81 ALDH1A1 (0.50) PTGDR2ALDH1A1MAPTHTTHPGD
SCHEMBL1665154 0.80 PTGDR2 (0.44) PTGDR2ALDH1A1FBP1HTTHPGD
SCHEMBL554351 0.76 PTGDR2 (0.50) PTGDR2ALDH1A1MAPTHTTHPGD
SCHEMBL1199476 0.75 ELANE (0.61) PTGDR2ALDH1A1MAPTHTTHPGD
SCHEMBL2762935 0.74 ALDH1A1 (0.47) PTGDR2ALDH1A1MAPTHTTHPGD
SCHEMBL2763284 0.72 PTGS2 (0.46) PTGDR2ALDH1A1MAPTHTTHPGD
SCHEMBL14010506 0.72 PTGS2 (0.46) PTGDR2ALDH1A1MAPTHTTHPGD
Alcohol SCHEMBL27887077 0.71 ALDH1A1 (0.50) PTGDR2ALDH1A1MAPTFBP1HTT
SCHEMBL7363630 0.71 ALDH1A1 (0.70) PTGDR2ALDH1A1MAPTHTTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951653-B1 SALICYLIC ACID DERIVATIVES NICOX SA (FR) 2010-10-20 EP disclosed
US-20080293781-A1 Salicylic Acid Derivatives NICOX S.A. (FR) 2008-11-27 US disclosed
EP-1951653-A1 SALICYLIC ACID DERIVATIVES NicOx S.A. (FR) 2008-08-06 EP disclosed
WO-2007060112-A1 SALICYLIC ACID DERIVATIVES NICOX S.A. (FR) 2007-05-31 WO 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-20080293781-A1 Salicylic Acid Derivatives PTGS2, PTGS1, PTGES2 PTGDR2 98/4885ALDH1A1 51/4885MAPT 4289/4885

“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.