SCHEMBL5160733

SCHEMBL5160733

CC(=O)OC(=O)CS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.31

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
SCHEMBL5160723 0.87 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL9479407 0.80 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10TDP1LMNA
Sulfuric Acid SCHEMBL4453880 0.77 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL4585775 0.75 TSHR (0.38) ALDH1A1TSHRHSD17B10TDP1
Sulfuric Acid SCHEMBL1237253 0.74 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL1968530 0.74
SCHEMBL27279133 0.73
SCHEMBL19502080 0.72
SCHEMBL6181 0.70 GAA (0.52) ALDH1A1HSD17B10LMNA
SCHEMBL21753730 0.69 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10TDP1LMNA

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
US-4973750-A Preparation of (threo)-1-aryl-2-acylamido-3-fluoro-1-propanols SCHERING CORPORATION (US) 1990-11-27 US claimed
US-20070208062-A1 3-(4-(2-DIHYDROISOXAZOL-3-YLPYRIDIN-5-YL)PHENYL)-5-TRIAZOL-1-YLMETHYLOXAZOLIDIN-2-ONE DERIVATIVES AS MAO INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2007-09-06 US disclosed
EP-1753753-A1 3-(4-(2-DIHYDROISOXAZOL-3-YLPYRDIN-5-YL)PHENYL)-5-TRIAZOL-1-YLMETHYLOXAZOLIDIN-2-ONE DERIVATIVES AS MAO INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2007-02-21 EP disclosed
WO-2005116024-A1 3- (4- (2-DIHYDROISOXAZOL-3-YLPYRIDIN-5-YL) PHENYL) -5-TRIAZOL-1-YLMETHYLOXAZOLIDIN-2-ONE DERIVAIVES AS MAO INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2005-12-08 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-20070208062-A1 3-(4-(2-DIHYDROISOXAZOL-3-YLPYRIDIN-5-YL)PHENYL)-5-TRIAZOL-1-YLMETHYLOXAZOLIDIN-2-ONE DERIVATIVES AS MAO INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS MAOA, MAOB, TH ALDH1A1 176/4885TSHR 644/4885HSD17B10 1579/4885

“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.